N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide

C24H23N7O2 — CID 134450225

IUPACN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(N4CCOCC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C24H23N7O2/c1-30-16-22(23(29-30)20-5-2-3-8-26-20)28-24(32)21-7-4-6-19(27-21)17-13-18(15-25-14-17)31-9-11-33-12-10-31/h2-8,13-16H,9-12H2,1H3,(H,28,32)
InChIKeyWMFRKNLZJADXLW-UHFFFAOYSA-N
MW441.50 g/mol
LogP3.03
Rot. Bonds5

About N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide

N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide (PubChem CID 134450225) has the molecular formula C24H23N7O2 and a molecular weight of 441.50 g/mol. Its IUPAC name is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
PubChem CID134450225
Molecular FormulaC24H23N7O2
Molecular Weight441.50 g/mol
Exact Mass441.19
IUPAC NameN-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide
SMILESCn1cc(NC(=O)c2cccc(-c3cncc(N4CCOCC4)c3)n2)c(-c2ccccn2)n1
InChIInChI=1S/C24H23N7O2/c1-30-16-22(23(29-30)20-5-2-3-8-26-20)28-24(32)21-7-4-6-19(27-21)17-13-18(15-25-14-17)31-9-11-33-12-10-31/h2-8,13-16H,9-12H2,1H3,(H,28,32)
InChIKeyWMFRKNLZJADXLW-UHFFFAOYSA-N
XLogP3.03
TPSA98.06 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.50
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
The IUPAC name of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide (CID 134450225) is N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
The canonical SMILES for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide is Cn1cc(NC(=O)c2cccc(-c3cncc(N4CCOCC4)c3)n2)c(-c2ccccn2)n1.
What is the InChIKey of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
The InChIKey is WMFRKNLZJADXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2/c1-30-16-22(23(29-30)20-5-2-3-8-26-20)28-24(32)21-7-4-6-19(27-21)17-13-18(15-25-14-17)31-9-11-33-12-10-31/h2-8,13-16H,9-12H2,1H3,(H,28,32).
What are the key properties of N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide?
N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide has a molecular weight of 441.50 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-(5-morpholin-4-yl-3-pyridinyl)pyridine-2-carboxamide is sourced from PubChem (CID 134450225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).