4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide

C20H21N7OS — CID 59603852

About 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide (PubChem CID 59603852) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
• PubChem CID: 59603852
• Molecular Formula: C20H21N7OS
• Molecular Weight: 407.50 g/mol
• Exact Mass: 407.15
• IUPAC Name: 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide
• SMILES: Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCNC5)c4)cnn3c2)cn1
• InChI: InChI=1S/C20H21N7OS/c1-26-10-15(7-23-26)14-6-22-19-17(9-24-27(19)11-14)13-5-18(29-12-13)20(28)25-16-3-2-4-21-8-16/h5-7,9-12,16,21H,2-4,8H2,1H3,(H,25,28)/t16-/m1/s1
• InChIKey: IZWHWSRZVWQCKN-MRXNPFEDSA-N
• XLogP: 2.34
• TPSA: 89.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	407.50
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide?

The IUPAC name of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide (CID 59603852) is 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide.

What is the SMILES notation for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide?

The canonical SMILES for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide is Cn1cc(-c2cnc3c(-c4csc(C(=O)N[C@@H]5CCCNC5)c4)cnn3c2)cn1.

What is the InChIKey of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide?

The InChIKey is IZWHWSRZVWQCKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H21N7OS/c1-26-10-15(7-23-26)14-6-22-19-17(9-24-27(19)11-14)13-5-18(29-12-13)20(28)25-16-3-2-4-21-8-16/h5-7,9-12,16,21H,2-4,8H2,1H3,(H,25,28)/t16-/m1/s1.

What are the key properties of 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide?

4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-[(3R)-piperidin-3-yl]thiophene-2-carboxamide is sourced from PubChem (CID 59603852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).