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

C24H24N8O — CID 53328988

IUPAC6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H24N8O/c1-15(2)32-22(11-21(31-32)19-5-3-4-10-27-19)30-24(33)23-20(28-17-12-25-14-26-13-17)9-8-18(29-23)16-6-7-16/h3-5,8-16,28H,6-7H2,1-2H3,(H,30,33)
InChIKeyCWCFYTWMYNKYGR-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.58
Rot. Bonds7

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

6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328988) has the molecular formula C24H24N8O and a molecular weight of 440.51 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328988
Molecular FormulaC24H24N8O
Molecular Weight440.51 g/mol
Exact Mass440.21
IUPAC Name6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCC(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C24H24N8O/c1-15(2)32-22(11-21(31-32)19-5-3-4-10-27-19)30-24(33)23-20(28-17-12-25-14-26-13-17)9-8-18(29-23)16-6-7-16/h3-5,8-16,28H,6-7H2,1-2H3,(H,30,33)
InChIKeyCWCFYTWMYNKYGR-UHFFFAOYSA-N
XLogP4.58
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328988) is 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CC(C)n1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CWCFYTWMYNKYGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N8O/c1-15(2)32-22(11-21(31-32)19-5-3-4-10-27-19)30-24(33)23-20(28-17-12-25-14-26-13-17)9-8-18(29-23)16-6-7-16/h3-5,8-16,28H,6-7H2,1-2H3,(H,30,33).
What are the key properties of 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 440.51 g/mol, XLogP of 4.58, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1-propan-2-yl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).