6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C26H24N10O — CID 53329351

IUPAC6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cncc1Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H24N10O/c1-35-16-29-13-19(35)14-36-24(10-23(34-36)21-4-2-3-9-30-21)33-26(37)25-22(31-18-11-27-15-28-12-18)8-7-20(32-25)17-5-6-17/h2-4,7-13,15-17,31H,5-6,14H2,1H3,(H,33,37)
InChIKeyCCNFKQIYKQOANC-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.79
Rot. Bonds8

About 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329351) has the molecular formula C26H24N10O and a molecular weight of 492.55 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329351
Molecular FormulaC26H24N10O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC Name6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1cncc1Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C26H24N10O/c1-35-16-29-13-19(35)14-36-24(10-23(34-36)21-4-2-3-9-30-21)33-26(37)25-22(31-18-11-27-15-28-12-18)8-7-20(32-25)17-5-6-17/h2-4,7-13,15-17,31H,5-6,14H2,1H3,(H,33,37)
InChIKeyCCNFKQIYKQOANC-UHFFFAOYSA-N
XLogP3.79
TPSA128.33 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329351) is 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1cncc1Cn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CCNFKQIYKQOANC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O/c1-35-16-29-13-19(35)14-36-24(10-23(34-36)21-4-2-3-9-30-21)33-26(37)25-22(31-18-11-27-15-28-12-18)8-7-20(32-25)17-5-6-17/h2-4,7-13,15-17,31H,5-6,14H2,1H3,(H,33,37).
What are the key properties of 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 492.55 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-[(3-methylimidazol-4-yl)methyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).