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

C22H26N8O — CID 76683930

IUPAC4,5-dimethyl-N-[2-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cnn(C5CCNCC5)c4C)cc3c2)c1C
InChIInChI=1S/C22H26N8O/c1-12-13(2)28-29-20(12)22(31)26-16-8-15-9-19(27-21(15)24-10-16)18-11-25-30(14(18)3)17-4-6-23-7-5-17/h8-11,17,23H,4-7H2,1-3H3,(H,24,27)(H,26,31)(H,28,29)
InChIKeyNLFZKXVRGVUCKH-UHFFFAOYSA-N
MW418.51 g/mol
LogP3.25
Rot. Bonds4

About 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

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 (PubChem CID 76683930) has the molecular formula C22H26N8O and a molecular weight of 418.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4,5-dimethyl-N-[2-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
PubChem CID76683930
Molecular FormulaC22H26N8O
Molecular Weight418.51 g/mol
Exact Mass418.22
IUPAC Name4,5-dimethyl-N-[2-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cnn(C5CCNCC5)c4C)cc3c2)c1C
InChIInChI=1S/C22H26N8O/c1-12-13(2)28-29-20(12)22(31)26-16-8-15-9-19(27-21(15)24-10-16)18-11-25-30(14(18)3)17-4-6-23-7-5-17/h8-11,17,23H,4-7H2,1-3H3,(H,24,27)(H,26,31)(H,28,29)
InChIKeyNLFZKXVRGVUCKH-UHFFFAOYSA-N
XLogP3.25
TPSA116.31 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.51
LogP ≤ 53.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1[nH]nc(C(=O)Nc2cnc3[nH]c(-c4cnn(C5CCNCC5)c4C)cc3c2)c1C.
What is the InChIKey of 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?
The InChIKey is NLFZKXVRGVUCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N8O/c1-12-13(2)28-29-20(12)22(31)26-16-8-15-9-19(27-21(15)24-10-16)18-11-25-30(14(18)3)17-4-6-23-7-5-17/h8-11,17,23H,4-7H2,1-3H3,(H,24,27)(H,26,31)(H,28,29).
What are the key properties of 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?
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 has a molecular weight of 418.51 g/mol, XLogP of 3.25, 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-[2-(5-methyl-1-piperidin-4-ylpyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 76683930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).