1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide

C24H23N7O — CID 135120956

IUPAC1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4cnc5[nH]ccc5c4)cn3)cc2)c1
InChIInChI=1S/C24H23N7O/c1-17-9-28-30(13-17)14-18-2-4-19(5-3-18)15-31-16-22(12-29-31)24(32)27-11-20-8-21-6-7-25-23(21)26-10-20/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,26)(H,27,32)
InChIKeyYORRWDVNDGSRIN-UHFFFAOYSA-N
MW425.50 g/mol
LogP3.29
Rot. Bonds7

About 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide

1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide (PubChem CID 135120956) has the molecular formula C24H23N7O and a molecular weight of 425.50 g/mol. Its IUPAC name is 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide
PubChem CID135120956
Molecular FormulaC24H23N7O
Molecular Weight425.50 g/mol
Exact Mass425.20
IUPAC Name1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide
SMILESCc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4cnc5[nH]ccc5c4)cn3)cc2)c1
InChIInChI=1S/C24H23N7O/c1-17-9-28-30(13-17)14-18-2-4-19(5-3-18)15-31-16-22(12-29-31)24(32)27-11-20-8-21-6-7-25-23(21)26-10-20/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,26)(H,27,32)
InChIKeyYORRWDVNDGSRIN-UHFFFAOYSA-N
XLogP3.29
TPSA93.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide (CID 135120956) is 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide is Cc1cnn(Cc2ccc(Cn3cc(C(=O)NCc4cnc5[nH]ccc5c4)cn3)cc2)c1.
What is the InChIKey of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide?
The InChIKey is YORRWDVNDGSRIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O/c1-17-9-28-30(13-17)14-18-2-4-19(5-3-18)15-31-16-22(12-29-31)24(32)27-11-20-8-21-6-7-25-23(21)26-10-20/h2-10,12-13,16H,11,14-15H2,1H3,(H,25,26)(H,27,32).
What are the key properties of 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide?
1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 425.50 g/mol, XLogP of 3.29, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]-N-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 135120956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).