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

C22H20N8O — CID 53330054

IUPAC6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1-c1ccccn1
InChIInChI=1S/C22H20N8O/c1-30-19(17-4-2-3-9-25-17)10-20(29-30)28-22(31)21-18(26-15-11-23-13-24-12-15)8-7-16(27-21)14-5-6-14/h2-4,7-14,26H,5-6H2,1H3,(H,28,29,31)
InChIKeyGPEMRILKEUTKNG-UHFFFAOYSA-N
MW412.46 g/mol
LogP3.54
Rot. Bonds6

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

6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53330054) has the molecular formula C22H20N8O and a molecular weight of 412.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53330054
Molecular FormulaC22H20N8O
Molecular Weight412.46 g/mol
Exact Mass412.18
IUPAC Name6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCn1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1-c1ccccn1
InChIInChI=1S/C22H20N8O/c1-30-19(17-4-2-3-9-25-17)10-20(29-30)28-22(31)21-18(26-15-11-23-13-24-12-15)8-7-16(27-21)14-5-6-14/h2-4,7-14,26H,5-6H2,1H3,(H,28,29,31)
InChIKeyGPEMRILKEUTKNG-UHFFFAOYSA-N
XLogP3.54
TPSA110.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.46
LogP ≤ 53.54
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-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53330054) is 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is Cn1nc(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)cc1-c1ccccn1.
What is the InChIKey of 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GPEMRILKEUTKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N8O/c1-30-19(17-4-2-3-9-25-17)10-20(29-30)28-22(31)21-18(26-15-11-23-13-24-12-15)8-7-16(27-21)14-5-6-14/h2-4,7-14,26H,5-6H2,1H3,(H,28,29,31).
What are the key properties of 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 412.46 g/mol, XLogP of 3.54, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(1-methyl-5-pyridin-2-ylpyrazol-3-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53330054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).