N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide

C106H84N28OS4 — CID 157438174

IUPACN,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1)c1ccccc1.c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C29H19N7OS.C27H23N7S.2C25H21N7S/c37-29(17-5-2-1-3-6-17)32-20-11-19(13-30-14-20)18-8-9-23-21(12-18)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)25-7-4-10-38-25;1-2-8-34(7-1)16-17-10-19(13-28-12-17)18-5-6-22-20(11-18)26(33-32-22)27-30-23-15-29-14-21(25(23)31-27)24-4-3-9-35-24;1-32(2)14-15-8-17(11-26-10-15)16-5-6-20-18(9-16)24(31-30-20)25-28-21-13-27-12-19(23(21)29-25)22-4-3-7-33-22;1-14(2)28-17-8-16(10-26-11-17)15-5-6-20-18(9-15)24(32-31-20)25-29-21-13-27-12-19(23(21)30-25)22-4-3-7-33-22/h1-16H,(H,32,37)(H,33,34)(H,35,36);3-6,9-15H,1-2,7-8,16H2,(H,30,31)(H,32,33);3-13H,14H2,1-2H3,(H,28,29)(H,30,31);3-14,28H,1-2H3,(H,29,30)(H,31,32)
InChIKeyBRIUBQDDDYMAOR-UHFFFAOYSA-N
MW1894.30 g/mol
LogP23.90
Rot. Bonds20

About N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide

N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (PubChem CID 157438174) has the molecular formula C106H84N28OS4 and a molecular weight of 1894.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
PubChem CID157438174
Molecular FormulaC106H84N28OS4
Molecular Weight1894.30 g/mol
Exact Mass1892.63
IUPAC NameN,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
SMILESCC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1)c1ccccc1.c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1
InChIInChI=1S/C29H19N7OS.C27H23N7S.2C25H21N7S/c37-29(17-5-2-1-3-6-17)32-20-11-19(13-30-14-20)18-8-9-23-21(12-18)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)25-7-4-10-38-25;1-2-8-34(7-1)16-17-10-19(13-28-12-17)18-5-6-22-20(11-18)26(33-32-22)27-30-23-15-29-14-21(25(23)31-27)24-4-3-9-35-24;1-32(2)14-15-8-17(11-26-10-15)16-5-6-20-18(9-16)24(31-30-20)25-28-21-13-27-12-19(23(21)29-25)22-4-3-7-33-22;1-14(2)28-17-8-16(10-26-11-17)15-5-6-20-18(9-15)24(32-31-20)25-29-21-13-27-12-19(23(21)30-25)22-4-3-7-33-22/h1-16H,(H,32,37)(H,33,34)(H,35,36);3-6,9-15H,1-2,7-8,16H2,(H,30,31)(H,32,33);3-13H,14H2,1-2H3,(H,28,29)(H,30,31);3-14,28H,1-2H3,(H,29,30)(H,31,32)
InChIKeyBRIUBQDDDYMAOR-UHFFFAOYSA-N
XLogP23.90
TPSA380.17 Ų
H-Bond Donors10
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms139
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001894.30
LogP ≤ 523.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1024

Analyze N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide with MolForge

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Related Compounds

3-methyl-N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136643054
N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136273256
N-[5-[3-(7-thiophen-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide
CID 137014654
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]thiophen-2-yl]ethanone
CID 136273117
N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136600718
N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136600729
N-[5-[3-[7-(5-fluorothiophen-2-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136643450
1-[5-[2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]pyridin-3-yl]-1H-indazol-3-yl]-1H-imidazo[4,5-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 136935491
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide
CID 136935752
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 136935757
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136935776
N-[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
CID 136935791

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The IUPAC name of N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide (CID 157438174) is N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The canonical SMILES for N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is CC(C)Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1.O=C(Nc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6cccs6)cncc5[nH]4)c3c2)c1)c1ccccc1.c1csc(-c2cncc3[nH]c(-c4n[nH]c5ccc(-c6cncc(CN7CCCC7)c6)cc45)nc23)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
The InChIKey is BRIUBQDDDYMAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19N7OS.C27H23N7S.2C25H21N7S/c37-29(17-5-2-1-3-6-17)32-20-11-19(13-30-14-20)18-8-9-23-21(12-18)27(36-35-23)28-33-24-16-31-15-22(26(24)34-28)25-7-4-10-38-25;1-2-8-34(7-1)16-17-10-19(13-28-12-17)18-5-6-22-20(11-18)26(33-32-22)27-30-23-15-29-14-21(25(23)31-27)24-4-3-9-35-24;1-32(2)14-15-8-17(11-26-10-15)16-5-6-20-18(9-16)24(31-30-20)25-28-21-13-27-12-19(23(21)29-25)22-4-3-7-33-22;1-14(2)28-17-8-16(10-26-11-17)15-5-6-20-18(9-15)24(32-31-20)25-29-21-13-27-12-19(23(21)30-25)22-4-3-7-33-22/h1-16H,(H,32,37)(H,33,34)(H,35,36);3-6,9-15H,1-2,7-8,16H2,(H,30,31)(H,32,33);3-13H,14H2,1-2H3,(H,28,29)(H,30,31);3-14,28H,1-2H3,(H,29,30)(H,31,32).
What are the key properties of N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide?
N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide has a molecular weight of 1894.30 g/mol, XLogP of 23.90, 20 rotatable bonds, 10 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]methanamine;N-propan-2-yl-5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-2-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]benzamide is sourced from PubChem (CID 157438174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).