[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone

C38H47FN6O3 — CID 166709540

About [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone

[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone (PubChem CID 166709540) has the molecular formula C38H47FN6O3 and a molecular weight of 654.83 g/mol. Its IUPAC name is [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone.

Molecular Properties

• Compound Name: [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
• PubChem CID: 166709540
• Molecular Formula: C38H47FN6O3
• Molecular Weight: 654.83 g/mol
• Exact Mass: 654.37
• IUPAC Name: [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone
• SMILES: Cc1c(-c2cc3cccc(C4CCN(C(=O)C5CCC(O)CC5)CC4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
• InChI: InChI=1S/C38H47FN6O3/c1-23-34(41-45-21-28(18-32(39)35(23)45)38(48)43-15-3-5-29(40)22-43)33-19-27-4-2-6-31(36(27)44(33)20-24-7-8-24)25-13-16-42(17-14-25)37(47)26-9-11-30(46)12-10-26/h2,4,6,18-19,21,24-26,29-30,46H,3,5,7-17,20,22,40H2,1H3/t26?,29-,30?/m1/s1
• InChIKey: RUHPDBCMUJISAS-XPOHOPQJSA-N
• XLogP: 5.63
• TPSA: 109.10 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 48
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	654.83
LogP ≤ 5	5.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?

The IUPAC name of [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone (CID 166709540) is [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone.

What is the SMILES notation for [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?

The canonical SMILES for [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone is Cc1c(-c2cc3cccc(C4CCN(C(=O)C5CCC(O)CC5)CC4)c3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12.

What is the InChIKey of [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?

The InChIKey is RUHPDBCMUJISAS-XPOHOPQJSA-N. The full InChI is InChI=1S/C38H47FN6O3/c1-23-34(41-45-21-28(18-32(39)35(23)45)38(48)43-15-3-5-29(40)22-43)33-19-27-4-2-6-31(36(27)44(33)20-24-7-8-24)25-13-16-42(17-14-25)37(47)26-9-11-30(46)12-10-26/h2,4,6,18-19,21,24-26,29-30,46H,3,5,7-17,20,22,40H2,1H3/t26?,29-,30?/m1/s1.

What are the key properties of [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone?

[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone has a molecular weight of 654.83 g/mol, XLogP of 5.63, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]-(4-hydroxycyclohexyl)methanone is sourced from PubChem (CID 166709540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).