N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

C33H31F2N9O — CID 137134676

IUPACN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESCN(C)CCNc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C33H31F2N9O/c1-44(2)9-8-37-23-11-20(10-22(34)15-23)25-6-7-38-31-29(25)40-32(41-31)30-26-13-19(14-27(35)28(26)42-43-30)21-12-24(17-36-16-21)39-33(45)18-4-3-5-18/h6-7,10-18,37H,3-5,8-9H2,1-2H3,(H,39,45)(H,42,43)(H,38,40,41)
InChIKeyNXJRORZUCVYKIA-UHFFFAOYSA-N
MW607.67 g/mol
LogP6.22
Rot. Bonds9

About N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide

N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (PubChem CID 137134676) has the molecular formula C33H31F2N9O and a molecular weight of 607.67 g/mol. Its IUPAC name is N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
PubChem CID137134676
Molecular FormulaC33H31F2N9O
Molecular Weight607.67 g/mol
Exact Mass607.26
IUPAC NameN-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
SMILESCN(C)CCNc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)c1
InChIInChI=1S/C33H31F2N9O/c1-44(2)9-8-37-23-11-20(10-22(34)15-23)25-6-7-38-31-29(25)40-32(41-31)30-26-13-19(14-27(35)28(26)42-43-30)21-12-24(17-36-16-21)39-33(45)18-4-3-5-18/h6-7,10-18,37H,3-5,8-9H2,1-2H3,(H,39,45)(H,42,43)(H,38,40,41)
InChIKeyNXJRORZUCVYKIA-UHFFFAOYSA-N
XLogP6.22
TPSA127.51 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500607.67
LogP ≤ 56.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide with MolForge

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Related Compounds

N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 137134219
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-4-fluoro-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056740
N-[5-[7-fluoro-3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134319
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]butanamide
CID 136935915
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]propanamide
CID 136935903
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclopentanecarboxamide
CID 136935511
N-[5-[7-fluoro-3-(1H-imidazo[4,5-b]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclopropanecarboxamide
CID 137134469
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137281436
N-[5-[7-fluoro-3-(4-pyridin-4-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide
CID 136935635
N-[5-[3-(7-pyridin-4-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137055291
N-[5-[3-[4-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-benzimidazol-2-yl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 136942452
N-[5-[3-(7-pyridin-3-yl-1H-imidazo[4,5-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclohexanecarboxamide
CID 137056013

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The IUPAC name of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide (CID 137134676) is N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The canonical SMILES for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is CN(C)CCNc1cc(F)cc(-c2ccnc3nc(-c4[nH]nc5c(F)cc(-c6cncc(NC(=O)C7CCC7)c6)cc45)[nH]c23)c1.
What is the InChIKey of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
The InChIKey is NXJRORZUCVYKIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31F2N9O/c1-44(2)9-8-37-23-11-20(10-22(34)15-23)25-6-7-38-31-29(25)40-32(41-31)30-26-13-19(14-27(35)28(26)42-43-30)21-12-24(17-36-16-21)39-33(45)18-4-3-5-18/h6-7,10-18,37H,3-5,8-9H2,1-2H3,(H,39,45)(H,42,43)(H,38,40,41).
What are the key properties of N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide?
N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide has a molecular weight of 607.67 g/mol, XLogP of 6.22, 9 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[7-[3-[2-(dimethylamino)ethylamino]-5-fluorophenyl]-1H-imidazo[4,5-b]pyridin-2-yl]-7-fluoro-2H-indazol-5-yl]-3-pyridinyl]cyclobutanecarboxamide is sourced from PubChem (CID 137134676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).