4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

C23H24N6O2S — CID 172681843

About 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide

4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 172681843) has the molecular formula C23H24N6O2S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 172681843
• Molecular Formula: C23H24N6O2S
• Molecular Weight: 448.55 g/mol
• Exact Mass: 448.17
• IUPAC Name: 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
• SMILES: Cc1sc2ccncc2c1Nc1cn[nH]c1C(=O)Nc1ccc(CN2CCOCC2)cc1
• InChI: InChI=1S/C23H24N6O2S/c1-15-21(18-12-24-7-6-20(18)32-15)27-19-13-25-28-22(19)23(30)26-17-4-2-16(3-5-17)14-29-8-10-31-11-9-29/h2-7,12-13,27H,8-11,14H2,1H3,(H,25,28)(H,26,30)
• InChIKey: AMXMKYPWSALQLW-UHFFFAOYSA-N
• XLogP: 4.16
• TPSA: 95.17 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.55
LogP ≤ 5	4.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide (CID 172681843) is 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is Cc1sc2ccncc2c1Nc1cn[nH]c1C(=O)Nc1ccc(CN2CCOCC2)cc1.

What is the InChIKey of 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

The InChIKey is AMXMKYPWSALQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O2S/c1-15-21(18-12-24-7-6-20(18)32-15)27-19-13-25-28-22(19)23(30)26-17-4-2-16(3-5-17)14-29-8-10-31-11-9-29/h2-7,12-13,27H,8-11,14H2,1H3,(H,25,28)(H,26,30).

What are the key properties of 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide?

4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 4.16, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(2-methylthieno[3,2-c]pyridin-3-yl)amino]-N-[4-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 172681843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).