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

C22H24N8O2 — CID 58548257

IUPAC6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1nn(CC2CC2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H24N8O2/c1-23-21(31)20-18(11-30(29-20)10-13-2-3-13)28-22(32)19-17(26-15-8-24-12-25-9-15)7-6-16(27-19)14-4-5-14/h6-9,11-14,26H,2-5,10H2,1H3,(H,23,31)(H,28,32)
InChIKeyCSSVZSHLVNYVMT-UHFFFAOYSA-N
MW432.49 g/mol
LogP2.71
Rot. Bonds8

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

6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 58548257) has the molecular formula C22H24N8O2 and a molecular weight of 432.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID58548257
Molecular FormulaC22H24N8O2
Molecular Weight432.49 g/mol
Exact Mass432.20
IUPAC Name6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESCNC(=O)c1nn(CC2CC2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C22H24N8O2/c1-23-21(31)20-18(11-30(29-20)10-13-2-3-13)28-22(32)19-17(26-15-8-24-12-25-9-15)7-6-16(27-19)14-4-5-14/h6-9,11-14,26H,2-5,10H2,1H3,(H,23,31)(H,28,32)
InChIKeyCSSVZSHLVNYVMT-UHFFFAOYSA-N
XLogP2.71
TPSA126.72 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.49
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 58548257) is 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CNC(=O)c1nn(CC2CC2)cc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is CSSVZSHLVNYVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2/c1-23-21(31)20-18(11-30(29-20)10-13-2-3-13)28-22(32)19-17(26-15-8-24-12-25-9-15)7-6-16(27-19)14-4-5-14/h6-9,11-14,26H,2-5,10H2,1H3,(H,23,31)(H,28,32).
What are the key properties of 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 432.49 g/mol, XLogP of 2.71, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-[1-(cyclopropylmethyl)-3-(methylcarbamoyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 58548257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).