N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

C58H52N14S2 — CID 145251014

IUPACN,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESC/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)nc34)cc12.C=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C31H23N7S.C27H29N7S/c1-19(13-20-5-3-2-4-6-20)34-23-14-22(16-32-17-23)25-7-8-27-30(36-25)31(38-37-27)28-15-24-26(35-28)9-11-33-29(24)21-10-12-39-18-21;1-16(2)35-15-17(3)25-20-11-24(30-22(20)8-9-29-25)27-26-23(32-33-27)7-6-21(31-26)19-10-18(12-28-13-19)14-34(4)5/h2-12,14-18,34-35H,1,13H2,(H,37,38);6-13,15-16,30H,14H2,1-5H3,(H,32,33)/b;17-15+
InChIKeyARYFMQFXYRMZER-PCTDWUKPSA-N
MW1009.29 g/mol
LogP13.59
Rot. Bonds14

About N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine

N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (PubChem CID 145251014) has the molecular formula C58H52N14S2 and a molecular weight of 1009.29 g/mol. Its IUPAC name is N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
PubChem CID145251014
Molecular FormulaC58H52N14S2
Molecular Weight1009.29 g/mol
Exact Mass1008.39
IUPAC NameN,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine
SMILESC/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)nc34)cc12.C=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3n2)c1
InChIInChI=1S/C31H23N7S.C27H29N7S/c1-19(13-20-5-3-2-4-6-20)34-23-14-22(16-32-17-23)25-7-8-27-30(36-25)31(38-37-27)28-15-24-26(35-28)9-11-33-29(24)21-10-12-39-18-21;1-16(2)35-15-17(3)25-20-11-24(30-22(20)8-9-29-25)27-26-23(32-33-27)7-6-21(31-26)19-10-18(12-28-13-19)14-34(4)5/h2-12,14-18,34-35H,1,13H2,(H,37,38);6-13,15-16,30H,14H2,1-5H3,(H,32,33)/b;17-15+
InChIKeyARYFMQFXYRMZER-PCTDWUKPSA-N
XLogP13.59
TPSA181.55 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001009.29
LogP ≤ 513.59
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The IUPAC name of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine (CID 145251014) is N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine.
What is the SMILES notation for N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The canonical SMILES for N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is C/C(=C\SC(C)C)c1nccc2[nH]c(-c3n[nH]c4ccc(-c5cncc(CN(C)C)c5)nc34)cc12.C=C(Cc1ccccc1)Nc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccsc6)nccc5[nH]4)c3n2)c1.
What is the InChIKey of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
The InChIKey is ARYFMQFXYRMZER-PCTDWUKPSA-N. The full InChI is InChI=1S/C31H23N7S.C27H29N7S/c1-19(13-20-5-3-2-4-6-20)34-23-14-22(16-32-17-23)25-7-8-27-30(36-25)31(38-37-27)28-15-24-26(35-28)9-11-33-29(24)21-10-12-39-18-21;1-16(2)35-15-17(3)25-20-11-24(30-22(20)8-9-29-25)27-26-23(32-33-27)7-6-21(31-26)19-10-18(12-28-13-19)14-34(4)5/h2-12,14-18,34-35H,1,13H2,(H,37,38);6-13,15-16,30H,14H2,1-5H3,(H,32,33)/b;17-15+.
What are the key properties of N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine?
N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine has a molecular weight of 1009.29 g/mol, XLogP of 13.59, 14 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[5-[3-[4-[(E)-1-propan-2-ylsulfanylprop-1-en-2-yl]-1H-pyrrolo[3,2-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methanamine;N-(3-phenylprop-1-en-2-yl)-5-[3-(4-thiophen-3-yl-1H-pyrrolo[3,2-c]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-amine is sourced from PubChem (CID 145251014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).