[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate

C24H26FN7O3 — CID 176741432

IUPAC[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
SMILESCCn1cc2c(N3CC[C@@H](OC(=O)NC)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C24H26FN7O3/c1-4-32-13-18-20(30-8-7-16(12-30)35-24(34)26-3)6-5-17(21(18)29-32)23(33)28-15-9-19(25)22-27-14(2)10-31(22)11-15/h5-6,9-11,13,16H,4,7-8,12H2,1-3H3,(H,26,34)(H,28,33)/t16-/m1/s1
InChIKeyXVGJNFZDVSHBIO-MRXNPFEDSA-N
MW479.52 g/mol
LogP3.34
Rot. Bonds5

About [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate

[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate (PubChem CID 176741432) has the molecular formula C24H26FN7O3 and a molecular weight of 479.52 g/mol. Its IUPAC name is [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate.

Molecular Properties

Compound Name[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
PubChem CID176741432
Molecular FormulaC24H26FN7O3
Molecular Weight479.52 g/mol
Exact Mass479.21
IUPAC Name[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate
SMILESCCn1cc2c(N3CC[C@@H](OC(=O)NC)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
InChIInChI=1S/C24H26FN7O3/c1-4-32-13-18-20(30-8-7-16(12-30)35-24(34)26-3)6-5-17(21(18)29-32)23(33)28-15-9-19(25)22-27-14(2)10-31(22)11-15/h5-6,9-11,13,16H,4,7-8,12H2,1-3H3,(H,26,34)(H,28,33)/t16-/m1/s1
InChIKeyXVGJNFZDVSHBIO-MRXNPFEDSA-N
XLogP3.34
TPSA105.79 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.52
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate 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 [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
The IUPAC name of [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate (CID 176741432) is [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate.
What is the SMILES notation for [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
The canonical SMILES for [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate is CCn1cc2c(N3CC[C@@H](OC(=O)NC)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.
What is the InChIKey of [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
The InChIKey is XVGJNFZDVSHBIO-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H26FN7O3/c1-4-32-13-18-20(30-8-7-16(12-30)35-24(34)26-3)6-5-17(21(18)29-32)23(33)28-15-9-19(25)22-27-14(2)10-31(22)11-15/h5-6,9-11,13,16H,4,7-8,12H2,1-3H3,(H,26,34)(H,28,33)/t16-/m1/s1.
What are the key properties of [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate?
[(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate has a molecular weight of 479.52 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[2-ethyl-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]pyrrolidin-3-yl] N-methylcarbamate is sourced from PubChem (CID 176741432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).