1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one

C35H42FN7O2 — CID 156829110

IUPAC1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1c(-c2cc3ccc(N4CCC(N5CCCC5=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C35H42FN7O2/c1-22-30-9-7-25(35(45)40-20-26(36)16-27(37)21-40)19-43(30)38-34(22)32-15-24-6-8-29(17-31(24)42(32)18-23-4-5-23)39-13-10-28(11-14-39)41-12-2-3-33(41)44/h6-9,15,17,19,23,26-28H,2-5,10-14,16,18,20-21,37H2,1H3/t26-,27-/m1/s1
InChIKeyFBJWSYBVXDAUDA-KAYWLYCHSA-N
MW611.77 g/mol
LogP4.78
Rot. Bonds6

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

1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one (PubChem CID 156829110) has the molecular formula C35H42FN7O2 and a molecular weight of 611.77 g/mol. Its IUPAC name is 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one
PubChem CID156829110
Molecular FormulaC35H42FN7O2
Molecular Weight611.77 g/mol
Exact Mass611.34
IUPAC Name1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one
SMILESCc1c(-c2cc3ccc(N4CCC(N5CCCC5=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C35H42FN7O2/c1-22-30-9-7-25(35(45)40-20-26(36)16-27(37)21-40)19-43(30)38-34(22)32-15-24-6-8-29(17-31(24)42(32)18-23-4-5-23)39-13-10-28(11-14-39)41-12-2-3-33(41)44/h6-9,15,17,19,23,26-28H,2-5,10-14,16,18,20-21,37H2,1H3/t26-,27-/m1/s1
InChIKeyFBJWSYBVXDAUDA-KAYWLYCHSA-N
XLogP4.78
TPSA92.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500611.77
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one (CID 156829110) is 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one is Cc1c(-c2cc3ccc(N4CCC(N5CCCC5=O)CC4)cc3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one?
The InChIKey is FBJWSYBVXDAUDA-KAYWLYCHSA-N. The full InChI is InChI=1S/C35H42FN7O2/c1-22-30-9-7-25(35(45)40-20-26(36)16-27(37)21-40)19-43(30)38-34(22)32-15-24-6-8-29(17-31(24)42(32)18-23-4-5-23)39-13-10-28(11-14-39)41-12-2-3-33(41)44/h6-9,15,17,19,23,26-28H,2-5,10-14,16,18,20-21,37H2,1H3/t26-,27-/m1/s1.
What are the key properties of 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one?
1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one has a molecular weight of 611.77 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)indol-6-yl]piperidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 156829110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).