N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

C28H28N6O — CID 163407703

IUPACN-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cnn(Cc2ccc(Cc3cncc(C(=O)NCc4c(C)nc5[nH]ccc5c4C)c3)cc2)c1
InChIInChI=1S/C28H28N6O/c1-18-12-32-34(16-18)17-22-6-4-21(5-7-22)10-23-11-24(14-29-13-23)28(35)31-15-26-19(2)25-8-9-30-27(25)33-20(26)3/h4-9,11-14,16H,10,15,17H2,1-3H3,(H,30,33)(H,31,35)
InChIKeyPGNWGBYTLDFGKD-UHFFFAOYSA-N
MW464.57 g/mol
LogP4.65
Rot. Bonds7

About N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide

N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (PubChem CID 163407703) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
PubChem CID163407703
Molecular FormulaC28H28N6O
Molecular Weight464.57 g/mol
Exact Mass464.23
IUPAC NameN-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
SMILESCc1cnn(Cc2ccc(Cc3cncc(C(=O)NCc4c(C)nc5[nH]ccc5c4C)c3)cc2)c1
InChIInChI=1S/C28H28N6O/c1-18-12-32-34(16-18)17-22-6-4-21(5-7-22)10-23-11-24(14-29-13-23)28(35)31-15-26-19(2)25-8-9-30-27(25)33-20(26)3/h4-9,11-14,16H,10,15,17H2,1-3H3,(H,30,33)(H,31,35)
InChIKeyPGNWGBYTLDFGKD-UHFFFAOYSA-N
XLogP4.65
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide (CID 163407703) is N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is Cc1cnn(Cc2ccc(Cc3cncc(C(=O)NCc4c(C)nc5[nH]ccc5c4C)c3)cc2)c1.
What is the InChIKey of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is PGNWGBYTLDFGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-18-12-32-34(16-18)17-22-6-4-21(5-7-22)10-23-11-24(14-29-13-23)28(35)31-15-26-19(2)25-8-9-30-27(25)33-20(26)3/h4-9,11-14,16H,10,15,17H2,1-3H3,(H,30,33)(H,31,35).
What are the key properties of N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide?
N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 4.65, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(4-methylpyrazol-1-yl)methyl]phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 163407703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).