6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C21H24N8O3 — CID 58548323

IUPAC6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1nn(CCOC)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H24N8O3/c1-22-20(30)19-17(11-29(28-19)7-8-32-2)27-21(31)18-16(25-14-9-23-12-24-10-14)6-5-15(26-18)13-3-4-13/h5-6,9-13,25H,3-4,7-8H2,1-2H3,(H,22,30)(H,27,31)
InChIKeyYZDSIMWDVDWOBL-UHFFFAOYSA-N
MW436.48 g/mol
LogP1.95
Rot. Bonds9

About 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548323) has the molecular formula C21H24N8O3 and a molecular weight of 436.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548323
Molecular FormulaC21H24N8O3
Molecular Weight436.48 g/mol
Exact Mass436.20
IUPAC Name6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1nn(CCOC)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H24N8O3/c1-22-20(30)19-17(11-29(28-19)7-8-32-2)27-21(31)18-16(25-14-9-23-12-24-10-14)6-5-15(26-18)13-3-4-13/h5-6,9-13,25H,3-4,7-8H2,1-2H3,(H,22,30)(H,27,31)
InChIKeyYZDSIMWDVDWOBL-UHFFFAOYSA-N
XLogP1.95
TPSA135.95 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548323) is 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1nn(CCOC)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is YZDSIMWDVDWOBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N8O3/c1-22-20(30)19-17(11-29(28-19)7-8-32-2)27-21(31)18-16(25-14-9-23-12-24-10-14)6-5-15(26-18)13-3-4-13/h5-6,9-13,25H,3-4,7-8H2,1-2H3,(H,22,30)(H,27,31).
What are the key properties of 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 1.95, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(2-methoxyethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).