3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide

C30H42FN7OS — CID 145343393

About 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide

3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide (PubChem CID 145343393) has the molecular formula C30H42FN7OS and a molecular weight of 567.78 g/mol. Its IUPAC name is 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide
• PubChem CID: 145343393
• Molecular Formula: C30H42FN7OS
• Molecular Weight: 567.78 g/mol
• Exact Mass: 567.32
• IUPAC Name: 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide
• SMILES: CN1CCN(C2CCN(c3cnc(NC4C=c5c(C6CCCC6)c(C(=O)N(C)C)sc5=CN4)c(F)c3)CC2)CC1
• InChI: InChI=1S/C30H42FN7OS/c1-35(2)30(39)28-27(20-6-4-5-7-20)23-17-26(32-19-25(23)40-28)34-29-24(31)16-22(18-33-29)37-10-8-21(9-11-37)38-14-12-36(3)13-15-38/h16-21,26,32H,4-15H2,1-3H3,(H,33,34)
• InChIKey: RUTQPAURJCJNOO-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 66.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	567.78
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide?

The IUPAC name of 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide (CID 145343393) is 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide.

What is the SMILES notation for 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide?

The canonical SMILES for 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide is CN1CCN(C2CCN(c3cnc(NC4C=c5c(C6CCCC6)c(C(=O)N(C)C)sc5=CN4)c(F)c3)CC2)CC1.

What is the InChIKey of 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide?

The InChIKey is RUTQPAURJCJNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H42FN7OS/c1-35(2)30(39)28-27(20-6-4-5-7-20)23-17-26(32-19-25(23)40-28)34-29-24(31)16-22(18-33-29)37-10-8-21(9-11-37)38-14-12-36(3)13-15-38/h16-21,26,32H,4-15H2,1-3H3,(H,33,34).

What are the key properties of 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide?

3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide has a molecular weight of 567.78 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-5-[[3-fluoro-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-2-pyridinyl]amino]-N,N-dimethyl-5,6-dihydrothieno[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 145343393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).