1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone

C34H42FN7O4 — CID 156829199

IUPAC1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)cc(OC)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C34H42FN7O4/c1-20-30(38-42-16-24(13-28(46-3)32(20)42)34(44)40-17-25(35)14-26(36)18-40)27-12-23-6-9-37-31(33(23)41(27)15-21-4-5-21)22-7-10-39(11-8-22)29(43)19-45-2/h6,9,12-13,16,21-22,25-26H,4-5,7-8,10-11,14-15,17-19,36H2,1-3H3/t25-,26-/m1/s1
InChIKeyVBSWAUQINPNDCI-CLJLJLNGSA-N
MW631.75 g/mol
LogP3.94
Rot. Bonds8

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

1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone (PubChem CID 156829199) has the molecular formula C34H42FN7O4 and a molecular weight of 631.75 g/mol. Its IUPAC name is 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone
PubChem CID156829199
Molecular FormulaC34H42FN7O4
Molecular Weight631.75 g/mol
Exact Mass631.33
IUPAC Name1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCC(c2nccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)cc(OC)c5c4C)n(CC4CC4)c23)CC1
InChIInChI=1S/C34H42FN7O4/c1-20-30(38-42-16-24(13-28(46-3)32(20)42)34(44)40-17-25(35)14-26(36)18-40)27-12-23-6-9-37-31(33(23)41(27)15-21-4-5-21)22-7-10-39(11-8-22)29(43)19-45-2/h6,9,12-13,16,21-22,25-26H,4-5,7-8,10-11,14-15,17-19,36H2,1-3H3/t25-,26-/m1/s1
InChIKeyVBSWAUQINPNDCI-CLJLJLNGSA-N
XLogP3.94
TPSA120.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500631.75
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone 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-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone?
The IUPAC name of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone (CID 156829199) is 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone?
The canonical SMILES for 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone is COCC(=O)N1CCC(c2nccc3cc(-c4nn5cc(C(=O)N6C[C@H](N)C[C@@H](F)C6)cc(OC)c5c4C)n(CC4CC4)c23)CC1.
What is the InChIKey of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone?
The InChIKey is VBSWAUQINPNDCI-CLJLJLNGSA-N. The full InChI is InChI=1S/C34H42FN7O4/c1-20-30(38-42-16-24(13-28(46-3)32(20)42)34(44)40-17-25(35)14-26(36)18-40)27-12-23-6-9-37-31(33(23)41(27)15-21-4-5-21)22-7-10-39(11-8-22)29(43)19-45-2/h6,9,12-13,16,21-22,25-26H,4-5,7-8,10-11,14-15,17-19,36H2,1-3H3/t25-,26-/m1/s1.
What are the key properties of 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone?
1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone has a molecular weight of 631.75 g/mol, XLogP of 3.94, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]piperidin-1-yl]-2-methoxyethanone is sourced from PubChem (CID 156829199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).