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]ethanone

C33H39FN6O2 — CID 156828807

IUPAC1-[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]ethanone
SMILESCC(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C33H39FN6O2/c1-20-30(36-40-18-25(15-28(34)31(20)40)33(42)38-12-4-6-26(35)19-38)29-16-24-5-3-7-27(32(24)39(29)17-22-8-9-22)23-10-13-37(14-11-23)21(2)41/h3,5,7,15-16,18,22-23,26H,4,6,8-14,17,19,35H2,1-2H3/t26-/m1/s1
InChIKeyLTLXUAVVEIWJOB-AREMUKBSSA-N
MW570.71 g/mol
LogP5.10
Rot. Bonds5

About 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]ethanone

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]ethanone (PubChem CID 156828807) has the molecular formula C33H39FN6O2 and a molecular weight of 570.71 g/mol. Its IUPAC name is 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]ethanone.

Molecular Properties

Compound Name1-[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]ethanone
PubChem CID156828807
Molecular FormulaC33H39FN6O2
Molecular Weight570.71 g/mol
Exact Mass570.31
IUPAC Name1-[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]ethanone
SMILESCC(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C33H39FN6O2/c1-20-30(36-40-18-25(15-28(34)31(20)40)33(42)38-12-4-6-26(35)19-38)29-16-24-5-3-7-27(32(24)39(29)17-22-8-9-22)23-10-13-37(14-11-23)21(2)41/h3,5,7,15-16,18,22-23,26H,4,6,8-14,17,19,35H2,1-2H3/t26-/m1/s1
InChIKeyLTLXUAVVEIWJOB-AREMUKBSSA-N
XLogP5.10
TPSA88.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.71
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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]ethanone?
The IUPAC name of 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]ethanone (CID 156828807) is 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]ethanone.
What is the SMILES notation for 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]ethanone?
The canonical SMILES for 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]ethanone is CC(=O)N1CCC(c2cccc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)cc(F)c5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of 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]ethanone?
The InChIKey is LTLXUAVVEIWJOB-AREMUKBSSA-N. The full InChI is InChI=1S/C33H39FN6O2/c1-20-30(36-40-18-25(15-28(34)31(20)40)33(42)38-12-4-6-26(35)19-38)29-16-24-5-3-7-27(32(24)39(29)17-22-8-9-22)23-10-13-37(14-11-23)21(2)41/h3,5,7,15-16,18,22-23,26H,4,6,8-14,17,19,35H2,1-2H3/t26-/m1/s1.
What are the key properties of 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]ethanone?
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]ethanone has a molecular weight of 570.71 g/mol, XLogP of 5.10, 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)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 156828807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).