1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone

C33H39FN6O2 — CID 156829072

IUPAC1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C33H39FN6O2/c1-20-29-9-8-25(33(42)38-18-26(34)15-27(35)19-38)17-40(29)36-31(20)30-14-24-4-3-5-28(32(24)39(30)16-22-6-7-22)23-10-12-37(13-11-23)21(2)41/h3-5,8-9,14,17,22-23,26-27H,6-7,10-13,15-16,18-19,35H2,1-2H3/t26-,27-/m1/s1
InChIKeySISWABZROHQKSF-KAYWLYCHSA-N
MW570.71 g/mol
LogP4.91
Rot. Bonds5

About 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone

1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone (PubChem CID 156829072) has the molecular formula C33H39FN6O2 and a molecular weight of 570.71 g/mol. Its IUPAC name is 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone
PubChem CID156829072
Molecular FormulaC33H39FN6O2
Molecular Weight570.71 g/mol
Exact Mass570.31
IUPAC Name1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C33H39FN6O2/c1-20-29-9-8-25(33(42)38-18-26(34)15-27(35)19-38)17-40(29)36-31(20)30-14-24-4-3-5-28(32(24)39(30)16-22-6-7-22)23-10-12-37(13-11-23)21(2)41/h3-5,8-9,14,17,22-23,26-27H,6-7,10-13,15-16,18-19,35H2,1-2H3/t26-,27-/m1/s1
InChIKeySISWABZROHQKSF-KAYWLYCHSA-N
XLogP4.91
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.71
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone (CID 156829072) is 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone is CC(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)ccc5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone?
The InChIKey is SISWABZROHQKSF-KAYWLYCHSA-N. The full InChI is InChI=1S/C33H39FN6O2/c1-20-29-9-8-25(33(42)38-18-26(34)15-27(35)19-38)17-40(29)36-31(20)30-14-24-4-3-5-28(32(24)39(30)16-22-6-7-22)23-10-12-37(13-11-23)21(2)41/h3-5,8-9,14,17,22-23,26-27H,6-7,10-13,15-16,18-19,35H2,1-2H3/t26-,27-/m1/s1.
What are the key properties of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone?
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone has a molecular weight of 570.71 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 156829072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).