1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one

C34H41FN8O2 — CID 156829519

IUPAC1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1c(-c2cc3ccc(N4CCC(N5CCCC5=O)CC4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C34H41FN8O2/c1-21-31(38-43-19-24(16-27(35)32(21)43)34(45)40-12-2-4-25(36)20-40)28-17-23-8-9-29(37-33(23)42(28)18-22-6-7-22)39-14-10-26(11-15-39)41-13-3-5-30(41)44/h8-9,16-17,19,22,25-26H,2-7,10-15,18,20,36H2,1H3/t25-/m1/s1
InChIKeySAGPREMUDAMTHH-RUZDIDTESA-N
MW612.75 g/mol
LogP4.36
Rot. Bonds6

About 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one

1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 156829519) has the molecular formula C34H41FN8O2 and a molecular weight of 612.75 g/mol. Its IUPAC name is 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID156829519
Molecular FormulaC34H41FN8O2
Molecular Weight612.75 g/mol
Exact Mass612.33
IUPAC Name1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1c(-c2cc3ccc(N4CCC(N5CCCC5=O)CC4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12
InChIInChI=1S/C34H41FN8O2/c1-21-31(38-43-19-24(16-27(35)32(21)43)34(45)40-12-2-4-25(36)20-40)28-17-23-8-9-29(37-33(23)42(28)18-22-6-7-22)39-14-10-26(11-15-39)41-13-3-5-30(41)44/h8-9,16-17,19,22,25-26H,2-7,10-15,18,20,36H2,1H3/t25-/m1/s1
InChIKeySAGPREMUDAMTHH-RUZDIDTESA-N
XLogP4.36
TPSA105.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500612.75
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one (CID 156829519) is 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one is Cc1c(-c2cc3ccc(N4CCC(N5CCCC5=O)CC4)nc3n2CC2CC2)nn2cc(C(=O)N3CCC[C@@H](N)C3)cc(F)c12.
What is the InChIKey of 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is SAGPREMUDAMTHH-RUZDIDTESA-N. The full InChI is InChI=1S/C34H41FN8O2/c1-21-31(38-43-19-24(16-27(35)32(21)43)34(45)40-12-2-4-25(36)20-40)28-17-23-8-9-29(37-33(23)42(28)18-22-6-7-22)39-14-10-26(11-15-39)41-13-3-5-30(41)44/h8-9,16-17,19,22,25-26H,2-7,10-15,18,20,36H2,1H3/t25-/m1/s1.
What are the key properties of 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 612.75 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-4-fluoro-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-b]pyridin-6-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 156829519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).