N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C28H24N8O — CID 53328990

IUPACN-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1Cc1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C28H24N8O/c37-28(27-24(32-21-15-29-18-30-16-21)12-11-22(33-27)20-9-10-20)34-26-14-25(23-8-4-5-13-31-23)35-36(26)17-19-6-2-1-3-7-19/h1-8,11-16,18,20,32H,9-10,17H2,(H,34,37)
InChIKeyNZINDIRSIIELKH-UHFFFAOYSA-N
MW488.56 g/mol
LogP5.05
Rot. Bonds8

About N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328990) has the molecular formula C28H24N8O and a molecular weight of 488.56 g/mol. Its IUPAC name is N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328990
Molecular FormulaC28H24N8O
Molecular Weight488.56 g/mol
Exact Mass488.21
IUPAC NameN-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1cc(-c2ccccn2)nn1Cc1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C28H24N8O/c37-28(27-24(32-21-15-29-18-30-16-21)12-11-22(33-27)20-9-10-20)34-26-14-25(23-8-4-5-13-31-23)35-36(26)17-19-6-2-1-3-7-19/h1-8,11-16,18,20,32H,9-10,17H2,(H,34,37)
InChIKeyNZINDIRSIIELKH-UHFFFAOYSA-N
XLogP5.05
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.56
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328990) is N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1cc(-c2ccccn2)nn1Cc1ccccc1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is NZINDIRSIIELKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N8O/c37-28(27-24(32-21-15-29-18-30-16-21)12-11-22(33-27)20-9-10-20)34-26-14-25(23-8-4-5-13-31-23)35-36(26)17-19-6-2-1-3-7-19/h1-8,11-16,18,20,32H,9-10,17H2,(H,34,37).
What are the key properties of N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 488.56 g/mol, XLogP of 5.05, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).