4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C23H25N7O — CID 90253582

IUPAC4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCNCC5)c4)c3c2)c1C
InChIInChI=1S/C23H25N7O/c1-14-15(2)28-29-21(14)23(31)27-17-11-19-20(13-26-22(19)25-12-17)16-4-3-5-18(10-16)30-8-6-24-7-9-30/h3-5,10-13,24H,6-9H2,1-2H3,(H,25,26)(H,27,31)(H,28,29)
InChIKeyJXWXWVYQRMTLGW-UHFFFAOYSA-N
MW415.50 g/mol
LogP3.23
Rot. Bonds4

About 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 90253582) has the molecular formula C23H25N7O and a molecular weight of 415.50 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID90253582
Molecular FormulaC23H25N7O
Molecular Weight415.50 g/mol
Exact Mass415.21
IUPAC Name4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCNCC5)c4)c3c2)c1C
InChIInChI=1S/C23H25N7O/c1-14-15(2)28-29-21(14)23(31)27-17-11-19-20(13-26-22(19)25-12-17)16-4-3-5-18(10-16)30-8-6-24-7-9-30/h3-5,10-13,24H,6-9H2,1-2H3,(H,25,26)(H,27,31)(H,28,29)
InChIKeyJXWXWVYQRMTLGW-UHFFFAOYSA-N
XLogP3.23
TPSA101.73 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683929
4,5-dimethyl-N-[2-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
4,5-dimethyl-N-[2-(2-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683517
4,5-dimethyl-N-[2-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 76683930
N-(2-hydroxy-1H-pyrrolo[2,3-b]pyridin-5-yl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 166816512
4,5-dimethyl-N-[2-(1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90241215
4,5-dimethyl-N-(2-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90240834
propan-2-yl N-[3-[3-(methanesulfonamido)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
CID 159573820
3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 90064824
N-(4-fluorophenyl)-4,5-dimethyl-1H-pyrazole-3-carboxamide
CID 110858631
[3-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-piperazin-1-ylmethanone
CID 141325162

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (CID 90253582) is 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCNCC5)c4)c3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is JXWXWVYQRMTLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O/c1-14-15(2)28-29-21(14)23(31)27-17-11-19-20(13-26-22(19)25-12-17)16-4-3-5-18(10-16)30-8-6-24-7-9-30/h3-5,10-13,24H,6-9H2,1-2H3,(H,25,26)(H,27,31)(H,28,29).
What are the key properties of 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.23, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 90253582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).