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

C25H26N8O — CID 53328635

IUPACN-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C25H26N8O/c1-25(2,3)33-22(12-21(32-33)19-6-4-5-11-28-19)31-24(34)23-20(29-17-13-26-15-27-14-17)10-9-18(30-23)16-7-8-16/h4-6,9-16,29H,7-8H2,1-3H3,(H,31,34)
InChIKeyGCYCTDIXACCBHA-UHFFFAOYSA-N
MW454.54 g/mol
LogP4.76
Rot. Bonds6

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

N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328635) has the molecular formula C25H26N8O and a molecular weight of 454.54 g/mol. Its IUPAC name is N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328635
Molecular FormulaC25H26N8O
Molecular Weight454.54 g/mol
Exact Mass454.22
IUPAC NameN-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C25H26N8O/c1-25(2,3)33-22(12-21(32-33)19-6-4-5-11-28-19)31-24(34)23-20(29-17-13-26-15-27-14-17)10-9-18(30-23)16-7-8-16/h4-6,9-16,29H,7-8H2,1-3H3,(H,31,34)
InChIKeyGCYCTDIXACCBHA-UHFFFAOYSA-N
XLogP4.76
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.54
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328635) is N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CC(C)(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GCYCTDIXACCBHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O/c1-25(2,3)33-22(12-21(32-33)19-6-4-5-11-28-19)31-24(34)23-20(29-17-13-26-15-27-14-17)10-9-18(30-23)16-7-8-16/h4-6,9-16,29H,7-8H2,1-3H3,(H,31,34).
What are the key properties of N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 454.54 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butyl-3-pyridin-2-ylpyrazol-5-yl)-6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).