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

C23H22N8O — CID 53328991

IUPAC6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H22N8O/c1-2-31-21(11-20(30-31)18-5-3-4-10-26-18)29-23(32)22-19(27-16-12-24-14-25-13-16)9-8-17(28-22)15-6-7-15/h3-5,8-15,27H,2,6-7H2,1H3,(H,29,32)
InChIKeyYLQAZZVRBRZOLI-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.02
Rot. Bonds7

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

6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53328991) has the molecular formula C23H22N8O and a molecular weight of 426.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53328991
Molecular FormulaC23H22N8O
Molecular Weight426.48 g/mol
Exact Mass426.19
IUPAC Name6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C23H22N8O/c1-2-31-21(11-20(30-31)18-5-3-4-10-26-18)29-23(32)22-19(27-16-12-24-14-25-13-16)9-8-17(28-22)15-6-7-15/h3-5,8-15,27H,2,6-7H2,1H3,(H,29,32)
InChIKeyYLQAZZVRBRZOLI-UHFFFAOYSA-N
XLogP4.02
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.02
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-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53328991) is 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CCn1nc(-c2ccccn2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YLQAZZVRBRZOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N8O/c1-2-31-21(11-20(30-31)18-5-3-4-10-26-18)29-23(32)22-19(27-16-12-24-14-25-13-16)9-8-17(28-22)15-6-7-15/h3-5,8-15,27H,2,6-7H2,1H3,(H,29,32).
What are the key properties of 6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 4.02, 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-ethyl-3-pyridin-2-ylpyrazol-5-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53328991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).