N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine

C21H20FN7 — CID 155587599

IUPACN-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine
SMILESF[C@@H]1CCN(c2ccc(CNc3cc(-c4cnc5ccccn45)ncn3)cn2)C1
InChIInChI=1S/C21H20FN7/c22-16-6-8-28(13-16)20-5-4-15(11-24-20)10-23-19-9-17(26-14-27-19)18-12-25-21-3-1-2-7-29(18)21/h1-5,7,9,11-12,14,16H,6,8,10,13H2,(H,23,26,27)/t16-/m1/s1
InChIKeyZZJNEPITOHITIC-MRXNPFEDSA-N
MW389.44 g/mol
LogP3.35
Rot. Bonds5

About N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine

N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine (PubChem CID 155587599) has the molecular formula C21H20FN7 and a molecular weight of 389.44 g/mol. Its IUPAC name is N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine
PubChem CID155587599
Molecular FormulaC21H20FN7
Molecular Weight389.44 g/mol
Exact Mass389.18
IUPAC NameN-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine
SMILESF[C@@H]1CCN(c2ccc(CNc3cc(-c4cnc5ccccn45)ncn3)cn2)C1
InChIInChI=1S/C21H20FN7/c22-16-6-8-28(13-16)20-5-4-15(11-24-20)10-23-19-9-17(26-14-27-19)18-12-25-21-3-1-2-7-29(18)21/h1-5,7,9,11-12,14,16H,6,8,10,13H2,(H,23,26,27)/t16-/m1/s1
InChIKeyZZJNEPITOHITIC-MRXNPFEDSA-N
XLogP3.35
TPSA71.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine 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 N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine?
The IUPAC name of N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine (CID 155587599) is N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine.
What is the SMILES notation for N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine?
The canonical SMILES for N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine is F[C@@H]1CCN(c2ccc(CNc3cc(-c4cnc5ccccn45)ncn3)cn2)C1.
What is the InChIKey of N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine?
The InChIKey is ZZJNEPITOHITIC-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H20FN7/c22-16-6-8-28(13-16)20-5-4-15(11-24-20)10-23-19-9-17(26-14-27-19)18-12-25-21-3-1-2-7-29(18)21/h1-5,7,9,11-12,14,16H,6,8,10,13H2,(H,23,26,27)/t16-/m1/s1.
What are the key properties of N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine?
N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine has a molecular weight of 389.44 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]methyl]-6-imidazo[1,2-a]pyridin-3-ylpyrimidin-4-amine is sourced from PubChem (CID 155587599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).