N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide

C24H20N8O — CID 175122400

IUPACN,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cncc(-c3cnc4c(c3)c(-c3cncnc3)nn4C)c2)nc1
InChIInChI=1S/C24H20N8O/c1-31(2)24(33)15-4-5-21(28-12-15)18-6-16(8-25-9-18)17-7-20-22(19-10-26-14-27-11-19)30-32(3)23(20)29-13-17/h4-14H,1-3H3
InChIKeyGKZJRNGJGOUIKE-UHFFFAOYSA-N
MW436.48 g/mol
LogP3.25
Rot. Bonds4

About N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide

N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 175122400) has the molecular formula C24H20N8O and a molecular weight of 436.48 g/mol. Its IUPAC name is N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID175122400
Molecular FormulaC24H20N8O
Molecular Weight436.48 g/mol
Exact Mass436.18
IUPAC NameN,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCN(C)C(=O)c1ccc(-c2cncc(-c3cnc4c(c3)c(-c3cncnc3)nn4C)c2)nc1
InChIInChI=1S/C24H20N8O/c1-31(2)24(33)15-4-5-21(28-12-15)18-6-16(8-25-9-18)17-7-20-22(19-10-26-14-27-11-19)30-32(3)23(20)29-13-17/h4-14H,1-3H3
InChIKeyGKZJRNGJGOUIKE-UHFFFAOYSA-N
XLogP3.25
TPSA102.58 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide (CID 175122400) is N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide is CN(C)C(=O)c1ccc(-c2cncc(-c3cnc4c(c3)c(-c3cncnc3)nn4C)c2)nc1.
What is the InChIKey of N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is GKZJRNGJGOUIKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8O/c1-31(2)24(33)15-4-5-21(28-12-15)18-6-16(8-25-9-18)17-7-20-22(19-10-26-14-27-11-19)30-32(3)23(20)29-13-17/h4-14H,1-3H3.
What are the key properties of N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide?
N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-[5-(1-methyl-3-pyrimidin-5-ylpyrazolo[5,4-b]pyridin-5-yl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 175122400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).