1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide

C29H30FN5O3 — CID 135179061

About 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide

1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide (PubChem CID 135179061) has the molecular formula C29H30FN5O3 and a molecular weight of 515.59 g/mol. Its IUPAC name is 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide
• PubChem CID: 135179061
• Molecular Formula: C29H30FN5O3
• Molecular Weight: 515.59 g/mol
• Exact Mass: 515.23
• IUPAC Name: 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide
• SMILES: Cc1cccc(CC(O)[C@H]2C[C@@H](F)CC2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc(C)nc4)ccc32)n1
• InChI: InChI=1S/C29H30FN5O3/c1-16-4-3-5-21(34-16)11-27(36)23-9-20(30)10-24(23)28(37)15-35-14-25(29(31)38)22-8-18(6-7-26(22)35)19-12-32-17(2)33-13-19/h3-8,12-14,20,23-24,27,36H,9-11,15H2,1-2H3,(H2,31,38)/t20-,23+,24?,27?/m1/s1
• InChIKey: NPTNCPVWDNEYEG-NXCBGRRKSA-N
• XLogP: 3.75
• TPSA: 123.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.59
LogP ≤ 5	3.75
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide?

The IUPAC name of 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide (CID 135179061) is 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide.

What is the SMILES notation for 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide?

The canonical SMILES for 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide is Cc1cccc(CC(O)[C@H]2C[C@@H](F)CC2C(=O)Cn2cc(C(N)=O)c3cc(-c4cnc(C)nc4)ccc32)n1.

What is the InChIKey of 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide?

The InChIKey is NPTNCPVWDNEYEG-NXCBGRRKSA-N. The full InChI is InChI=1S/C29H30FN5O3/c1-16-4-3-5-21(34-16)11-27(36)23-9-20(30)10-24(23)28(37)15-35-14-25(29(31)38)22-8-18(6-7-26(22)35)19-12-32-17(2)33-13-19/h3-8,12-14,20,23-24,27,36H,9-11,15H2,1-2H3,(H2,31,38)/t20-,23+,24?,27?/m1/s1.

What are the key properties of 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide?

1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide has a molecular weight of 515.59 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(2S,4R)-4-fluoro-2-[1-hydroxy-2-(6-methyl-2-pyridinyl)ethyl]cyclopentyl]-2-oxoethyl]-5-(2-methylpyrimidin-5-yl)indole-3-carboxamide is sourced from PubChem (CID 135179061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).