6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C25H27N9O — CID 53328445

IUPAC6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(C)CCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C25H27N9O/c1-33(2)11-12-34-23(13-22(32-34)20-5-3-4-10-28-20)31-25(35)24-21(29-18-14-26-16-27-15-18)9-8-19(30-24)17-6-7-17/h3-5,8-10,13-17,29H,6-7,11-12H2,1-2H3,(H,31,35)
InChIKeyYQBHCXNSRTWRPM-UHFFFAOYSA-N
MW469.55 g/mol
LogP3.57
Rot. Bonds9

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

6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328445) has the molecular formula C25H27N9O and a molecular weight of 469.55 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328445
Molecular FormulaC25H27N9O
Molecular Weight469.55 g/mol
Exact Mass469.23
IUPAC Name6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCN(C)CCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C25H27N9O/c1-33(2)11-12-34-23(13-22(32-34)20-5-3-4-10-28-20)31-25(35)24-21(29-18-14-26-16-27-15-18)9-8-19(30-24)17-6-7-17/h3-5,8-10,13-17,29H,6-7,11-12H2,1-2H3,(H,31,35)
InChIKeyYQBHCXNSRTWRPM-UHFFFAOYSA-N
XLogP3.57
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.55
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328445) is 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CN(C)CCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YQBHCXNSRTWRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N9O/c1-33(2)11-12-34-23(13-22(32-34)20-5-3-4-10-28-20)31-25(35)24-21(29-18-14-26-16-27-15-18)9-8-19(30-24)17-6-7-17/h3-5,8-10,13-17,29H,6-7,11-12H2,1-2H3,(H,31,35).
What are the key properties of 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 469.55 g/mol, XLogP of 3.57, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-[2-(dimethylamino)ethyl]-3-pyridin-2-ylpyrazol-5-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).