5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H24F3N9O3 — CID 145153242

About 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid

5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 145153242) has the molecular formula C23H24F3N9O3 and a molecular weight of 531.50 g/mol. Its IUPAC name is 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 145153242
• Molecular Formula: C23H24F3N9O3
• Molecular Weight: 531.50 g/mol
• Exact Mass: 531.20
• IUPAC Name: 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: NC1CCCCC1Nc1ccn2ncc(C(=O)Nc3cnn(-c4cccnc4)c3)c2n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C21H23N9O.C2HF3O2/c22-17-5-1-2-6-18(17)27-19-7-9-29-20(28-19)16(12-25-29)21(31)26-14-10-24-30(13-14)15-4-3-8-23-11-15;3-2(4,5)1(6)7/h3-4,7-13,17-18H,1-2,5-6,22H2,(H,26,31)(H,27,28);(H,6,7)
• InChIKey: KQQMARUJWZESQY-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 165.35 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	531.50
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 145153242) is 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is NC1CCCCC1Nc1ccn2ncc(C(=O)Nc3cnn(-c4cccnc4)c3)c2n1.O=C(O)C(F)(F)F.

What is the InChIKey of 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is KQQMARUJWZESQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N9O.C2HF3O2/c22-17-5-1-2-6-18(17)27-19-7-9-29-20(28-19)16(12-25-29)21(31)26-14-10-24-30(13-14)15-4-3-8-23-11-15;3-2(4,5)1(6)7/h3-4,7-13,17-18H,1-2,5-6,22H2,(H,26,31)(H,27,28);(H,6,7).

What are the key properties of 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid?

5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 531.50 g/mol, XLogP of 2.88, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2-aminocyclohexyl)amino]-N-(1-pyridin-3-ylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 145153242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).