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

C30H34FN7O3 — CID 156828815

IUPAC4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one
SMILESCc1c(-c2cc3ccnc(OCC4CNC(=O)C4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C30H34FN7O3/c1-17-24-5-4-21(30(40)36-14-22(31)10-23(32)15-36)13-38(24)35-27(17)25-9-20-6-7-33-29(28(20)37(25)12-18-2-3-18)41-16-19-8-26(39)34-11-19/h4-7,9,13,18-19,22-23H,2-3,8,10-12,14-16,32H2,1H3,(H,34,39)/t19?,22-,23-/m1/s1
InChIKeyJWNHQWFHZPTXSC-QENMJEOYSA-N
MW559.65 g/mol
LogP3.10
Rot. Bonds7

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

4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one (PubChem CID 156828815) has the molecular formula C30H34FN7O3 and a molecular weight of 559.65 g/mol. Its IUPAC name is 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one
PubChem CID156828815
Molecular FormulaC30H34FN7O3
Molecular Weight559.65 g/mol
Exact Mass559.27
IUPAC Name4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one
SMILESCc1c(-c2cc3ccnc(OCC4CNC(=O)C4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12
InChIInChI=1S/C30H34FN7O3/c1-17-24-5-4-21(30(40)36-14-22(31)10-23(32)15-36)13-38(24)35-27(17)25-9-20-6-7-33-29(28(20)37(25)12-18-2-3-18)41-16-19-8-26(39)34-11-19/h4-7,9,13,18-19,22-23H,2-3,8,10-12,14-16,32H2,1H3,(H,34,39)/t19?,22-,23-/m1/s1
InChIKeyJWNHQWFHZPTXSC-QENMJEOYSA-N
XLogP3.10
TPSA119.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500559.65
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]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 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?
The IUPAC name of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one (CID 156828815) is 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one.
What is the SMILES notation for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?
The canonical SMILES for 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one is Cc1c(-c2cc3ccnc(OCC4CNC(=O)C4)c3n2CC2CC2)nn2cc(C(=O)N3C[C@H](N)C[C@@H](F)C3)ccc12.
What is the InChIKey of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?
The InChIKey is JWNHQWFHZPTXSC-QENMJEOYSA-N. The full InChI is InChI=1S/C30H34FN7O3/c1-17-24-5-4-21(30(40)36-14-22(31)10-23(32)15-36)13-38(24)35-27(17)25-9-20-6-7-33-29(28(20)37(25)12-18-2-3-18)41-16-19-8-26(39)34-11-19/h4-7,9,13,18-19,22-23H,2-3,8,10-12,14-16,32H2,1H3,(H,34,39)/t19?,22-,23-/m1/s1.
What are the key properties of 4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one?
4-[[2-[6-[(3R,5R)-3-amino-5-fluoropiperidine-1-carbonyl]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one has a molecular weight of 559.65 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 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]-3-methylpyrazolo[1,5-a]pyridin-2-yl]-1-(cyclopropylmethyl)pyrrolo[2,3-c]pyridin-7-yl]oxymethyl]pyrrolidin-2-one is sourced from PubChem (CID 156828815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).