4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one

C33H39FN6O4 — CID 156829293

IUPAC4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4cccc(OCC5CC(=O)N(C)C5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C33H39FN6O4/c1-19-30(36-40-15-23(11-28(43-3)31(19)40)33(42)38-16-24(34)12-25(35)17-38)26-10-22-5-4-6-27(32(22)39(26)14-20-7-8-20)44-18-21-9-29(41)37(2)13-21/h4-6,10-11,15,20-21,24-25H,7-9,12-14,16-18,35H2,1-3H3/t21?,24-,25-/m1/s1
InChIKeyOJADNJGVKBJUIW-LYWQJQBASA-N
MW602.71 g/mol
LogP4.05
Rot. Bonds8

About 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one

4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one (PubChem CID 156829293) has the molecular formula C33H39FN6O4 and a molecular weight of 602.71 g/mol. Its IUPAC name is 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one
PubChem CID156829293
Molecular FormulaC33H39FN6O4
Molecular Weight602.71 g/mol
Exact Mass602.30
IUPAC Name4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one
SMILESCOc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4cccc(OCC5CC(=O)N(C)C5)c4n3CC3CC3)c(C)c12
InChIInChI=1S/C33H39FN6O4/c1-19-30(36-40-15-23(11-28(43-3)31(19)40)33(42)38-16-24(34)12-25(35)17-38)26-10-22-5-4-6-27(32(22)39(26)14-20-7-8-20)44-18-21-9-29(41)37(2)13-21/h4-6,10-11,15,20-21,24-25H,7-9,12-14,16-18,35H2,1-3H3/t21?,24-,25-/m1/s1
InChIKeyOJADNJGVKBJUIW-LYWQJQBASA-N
XLogP4.05
TPSA107.33 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.71
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one (CID 156829293) is 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one is COc1cc(C(=O)N2C[C@H](N)C[C@@H](F)C2)cn2nc(-c3cc4cccc(OCC5CC(=O)N(C)C5)c4n3CC3CC3)c(C)c12.
What is the InChIKey of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one?
The InChIKey is OJADNJGVKBJUIW-LYWQJQBASA-N. The full InChI is InChI=1S/C33H39FN6O4/c1-19-30(36-40-15-23(11-28(43-3)31(19)40)33(42)38-16-24(34)12-25(35)17-38)26-10-22-5-4-6-27(32(22)39(26)14-20-7-8-20)44-18-21-9-29(41)37(2)13-21/h4-6,10-11,15,20-21,24-25H,7-9,12-14,16-18,35H2,1-3H3/t21?,24-,25-/m1/s1.
What are the key properties of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one?
4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one has a molecular weight of 602.71 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-4-methoxy-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-7-yl]oxymethyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 156829293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).