4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

C22H24N8O — CID 76683929

IUPAC4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCNCC5)n4)c3c2)c1C
InChIInChI=1S/C22H24N8O/c1-13-14(2)28-29-20(13)22(31)26-15-10-16-17(12-25-21(16)24-11-15)18-4-3-5-19(27-18)30-8-6-23-7-9-30/h3-5,10-12,23H,6-9H2,1-2H3,(H,24,25)(H,26,31)(H,28,29)
InChIKeySESNWLFKEXFNKW-UHFFFAOYSA-N
MW416.49 g/mol
LogP2.63
Rot. Bonds4

About 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide

4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide (PubChem CID 76683929) has the molecular formula C22H24N8O and a molecular weight of 416.49 g/mol. Its IUPAC name is 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID76683929
Molecular FormulaC22H24N8O
Molecular Weight416.49 g/mol
Exact Mass416.21
IUPAC Name4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCNCC5)n4)c3c2)c1C
InChIInChI=1S/C22H24N8O/c1-13-14(2)28-29-20(13)22(31)26-15-10-16-17(12-25-21(16)24-11-15)18-4-3-5-19(27-18)30-8-6-23-7-9-30/h3-5,10-12,23H,6-9H2,1-2H3,(H,24,25)(H,26,31)(H,28,29)
InChIKeySESNWLFKEXFNKW-UHFFFAOYSA-N
XLogP2.63
TPSA114.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.49
LogP ≤ 52.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4,5-dimethyl-N-[3-(3-piperazin-1-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90253582
N-methyl-3-(6-morpholin-4-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-amine
CID 134292871
N-[3-[6-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-cyanobenzamide;molecular hydrogen
CID 159097299
N-[3-[6-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]prop-2-enamide;molecular hydrogen
CID 158245661
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
(E)-N-[3-[6-[(3S,5R)-4-acetyl-3,5-dimethylpiperazin-1-yl]-2-pyridinyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-chloroprop-2-enamide;molecular hydrogen
CID 158106487
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-(3-morpholin-4-ylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
CID 90302620
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-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90240834
4,5-dimethyl-N-(2-pyrazol-1-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 76683720

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 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) is 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)Nc2cnc3[nH]cc(-c4cccc(N5CCNCC5)n4)c3c2)c1C.
What is the InChIKey of 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
The InChIKey is SESNWLFKEXFNKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O/c1-13-14(2)28-29-20(13)22(31)26-15-10-16-17(12-25-21(16)24-11-15)18-4-3-5-19(27-18)30-8-6-23-7-9-30/h3-5,10-12,23H,6-9H2,1-2H3,(H,24,25)(H,26,31)(H,28,29).
What are the key properties of 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide?
4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide has a molecular weight of 416.49 g/mol, XLogP of 2.63, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-N-[3-(6-piperazin-1-yl-2-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76683929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).