(2S)-1-[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]-2-methoxypropan-1-one

C35H43FN6O3 — CID 156829269

IUPAC(2S)-1-[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]-2-methoxypropan-1-one
SMILESCO[C@@H](C)C(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C35H43FN6O3/c1-21-31(38-42-19-26(16-29(36)32(21)42)35(44)40-13-5-7-27(37)20-40)30-17-25-6-4-8-28(33(25)41(30)18-23-9-10-23)24-11-14-39(15-12-24)34(43)22(2)45-3/h4,6,8,16-17,19,22-24,27H,5,7,9-15,18,20,37H2,1-3H3/t22-,27+/m0/s1
InChIKeyYYXFWQONQMTQES-WXVAWEFUSA-N
MW614.77 g/mol
LogP5.12
Rot. Bonds7

About (2S)-1-[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]-2-methoxypropan-1-one

(2S)-1-[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]-2-methoxypropan-1-one (PubChem CID 156829269) has the molecular formula C35H43FN6O3 and a molecular weight of 614.77 g/mol. Its IUPAC name is (2S)-1-[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]-2-methoxypropan-1-one.

Molecular Properties

Compound Name(2S)-1-[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]-2-methoxypropan-1-one
PubChem CID156829269
Molecular FormulaC35H43FN6O3
Molecular Weight614.77 g/mol
Exact Mass614.34
IUPAC Name(2S)-1-[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]-2-methoxypropan-1-one
SMILESCO[C@@H](C)C(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C35H43FN6O3/c1-21-31(38-42-19-26(16-29(36)32(21)42)35(44)40-13-5-7-27(37)20-40)30-17-25-6-4-8-28(33(25)41(30)18-23-9-10-23)24-11-14-39(15-12-24)34(43)22(2)45-3/h4,6,8,16-17,19,22-24,27H,5,7,9-15,18,20,37H2,1-3H3/t22-,27+/m0/s1
InChIKeyYYXFWQONQMTQES-WXVAWEFUSA-N
XLogP5.12
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.77
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (2S)-1-[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]-2-methoxypropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[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]-2-methoxypropan-1-one?
The IUPAC name of (2S)-1-[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]-2-methoxypropan-1-one (CID 156829269) is (2S)-1-[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]-2-methoxypropan-1-one.
What is the SMILES notation for (2S)-1-[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]-2-methoxypropan-1-one?
The canonical SMILES for (2S)-1-[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]-2-methoxypropan-1-one is CO[C@@H](C)C(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of (2S)-1-[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]-2-methoxypropan-1-one?
The InChIKey is YYXFWQONQMTQES-WXVAWEFUSA-N. The full InChI is InChI=1S/C35H43FN6O3/c1-21-31(38-42-19-26(16-29(36)32(21)42)35(44)40-13-5-7-27(37)20-40)30-17-25-6-4-8-28(33(25)41(30)18-23-9-10-23)24-11-14-39(15-12-24)34(43)22(2)45-3/h4,6,8,16-17,19,22-24,27H,5,7,9-15,18,20,37H2,1-3H3/t22-,27+/m0/s1.
What are the key properties of (2S)-1-[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]-2-methoxypropan-1-one?
(2S)-1-[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]-2-methoxypropan-1-one has a molecular weight of 614.77 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[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]-2-methoxypropan-1-one is sourced from PubChem (CID 156829269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).