[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

C34H36FN5O3 — CID 156829955

About [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (PubChem CID 156829955) has the molecular formula C34H36FN5O3 and a molecular weight of 581.69 g/mol. Its IUPAC name is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

Molecular Properties

• Compound Name: [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• PubChem CID: 156829955
• Molecular Formula: C34H36FN5O3
• Molecular Weight: 581.69 g/mol
• Exact Mass: 581.28
• IUPAC Name: [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone
• SMILES: COc1cccc(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)cc(OC)c5c4C)n(CC4CC4)c3c2)c1
• InChI: InChI=1S/C34H36FN5O3/c1-20-32(37-40-17-25(14-31(43-3)33(20)40)34(41)38-18-26(35)15-27(36)19-38)30-13-24-10-9-23(22-5-4-6-28(11-22)42-2)12-29(24)39(30)16-21-7-8-21/h4-6,9-14,17,21,26-27H,7-8,15-16,18-19,36H2,1-3H3/t26-,27-/m1/s1
• InChIKey: MCKBVNJFBZDTKN-KAYWLYCHSA-N
• XLogP: 5.87
• TPSA: 87.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	581.69
LogP ≤ 5	5.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The IUPAC name of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone (CID 156829955) is [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone.

What is the SMILES notation for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The canonical SMILES for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is COc1cccc(-c2ccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)cc(OC)c5c4C)n(CC4CC4)c3c2)c1.

What is the InChIKey of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

The InChIKey is MCKBVNJFBZDTKN-KAYWLYCHSA-N. The full InChI is InChI=1S/C34H36FN5O3/c1-20-32(37-40-17-25(14-31(43-3)33(20)40)34(41)38-18-26(35)15-27(36)19-38)30-13-24-10-9-23(22-5-4-6-28(11-22)42-2)12-29(24)39(30)16-21-7-8-21/h4-6,9-14,17,21,26-27H,7-8,15-16,18-19,36H2,1-3H3/t26-,27-/m1/s1.

What are the key properties of [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone?

[(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone has a molecular weight of 581.69 g/mol, XLogP of 5.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R,5R)-3-amino-5-fluoropiperidin-1-yl]-[2-[1-(cyclopropylmethyl)-6-(3-methoxyphenyl)indol-2-yl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-6-yl]methanone is sourced from PubChem (CID 156829955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).