1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone

C34H41FN6O3 — CID 156829310

IUPAC1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C34H41FN6O3/c1-21-29-8-7-24(34(43)39-11-3-4-27(36)19-39)18-41(29)37-32(21)30-15-25-14-26(35)16-28(33(25)40(30)17-22-5-6-22)23-9-12-38(13-10-23)31(42)20-44-2/h7-8,14-16,18,22-23,27H,3-6,9-13,17,19-20,36H2,1-2H3/t27-/m1/s1
InChIKeyBAODMOBRXUEXHT-HHHXNRCGSA-N
MW600.74 g/mol
LogP4.73
Rot. Bonds7

About 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone

1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 156829310) has the molecular formula C34H41FN6O3 and a molecular weight of 600.74 g/mol. Its IUPAC name is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID156829310
Molecular FormulaC34H41FN6O3
Molecular Weight600.74 g/mol
Exact Mass600.32
IUPAC Name1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C34H41FN6O3/c1-21-29-8-7-24(34(43)39-11-3-4-27(36)19-39)18-41(29)37-32(21)30-15-25-14-26(35)16-28(33(25)40(30)17-22-5-6-22)23-9-12-38(13-10-23)31(42)20-44-2/h7-8,14-16,18,22-23,27H,3-6,9-13,17,19-20,36H2,1-2H3/t27-/m1/s1
InChIKeyBAODMOBRXUEXHT-HHHXNRCGSA-N
XLogP4.73
TPSA98.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.74
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone (CID 156829310) is 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2cc(F)cc3cc(-c4nn5cc(C(=O)N6CCC[C@@H](N)C6)ccc5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is BAODMOBRXUEXHT-HHHXNRCGSA-N. The full InChI is InChI=1S/C34H41FN6O3/c1-21-29-8-7-24(34(43)39-11-3-4-27(36)19-39)18-41(29)37-32(21)30-15-25-14-26(35)16-28(33(25)40(30)17-22-5-6-22)23-9-12-38(13-10-23)31(42)20-44-2/h7-8,14-16,18,22-23,27H,3-6,9-13,17,19-20,36H2,1-2H3/t27-/m1/s1.
What are the key properties of 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 600.74 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-[(3R)-3-aminopiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)-5-fluoroindol-7-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 156829310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).