3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide

C22H21N7O2 — CID 161446543

IUPAC3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccoc2C(N)=O)cc1Nc1nccn1-c1cc(NC2CC2)ncn1
InChIInChI=1S/C22H21N7O2/c1-13-2-3-14(16-6-9-31-20(16)21(23)30)10-17(13)28-22-24-7-8-29(22)19-11-18(25-12-26-19)27-15-4-5-15/h2-3,6-12,15H,4-5H2,1H3,(H2,23,30)(H,24,28)(H,25,26,27)
InChIKeyVZYUMRXFZZVBFU-UHFFFAOYSA-N
MW415.46 g/mol
LogP3.65
Rot. Bonds7

About 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide

3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide (PubChem CID 161446543) has the molecular formula C22H21N7O2 and a molecular weight of 415.46 g/mol. Its IUPAC name is 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide.

Molecular Properties

Compound Name3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide
PubChem CID161446543
Molecular FormulaC22H21N7O2
Molecular Weight415.46 g/mol
Exact Mass415.18
IUPAC Name3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide
SMILESCc1ccc(-c2ccoc2C(N)=O)cc1Nc1nccn1-c1cc(NC2CC2)ncn1
InChIInChI=1S/C22H21N7O2/c1-13-2-3-14(16-6-9-31-20(16)21(23)30)10-17(13)28-22-24-7-8-29(22)19-11-18(25-12-26-19)27-15-4-5-15/h2-3,6-12,15H,4-5H2,1H3,(H2,23,30)(H,24,28)(H,25,26,27)
InChIKeyVZYUMRXFZZVBFU-UHFFFAOYSA-N
XLogP3.65
TPSA123.89 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.46
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-tert-butyl-3-methylfuran-2-yl) N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]carbamate
CID 70869653
2-[4-chloro-3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 142685926
3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11526081
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-(1-methylpiperidin-4-yl)oxy-5-(trifluoromethyl)benzamide
CID 11700006
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)benzamide
CID 11592556
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-5-(trifluoromethyl)benzamide
CID 58973057
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-fluorophenyl]benzamide
CID 58973162
N-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-iodophenyl]-3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)benzamide
CID 70878591
6-(2-chloroimidazol-1-yl)-N-cyclopropylpyrimidin-4-amine
CID 58973138
4-methyl-3-N-[1-[6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]imidazol-2-yl]benzene-1,3-diamine
CID 67175089
N-[4-chloro-3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]phenyl]-3-(dimethylamino)-5-(trifluoromethyl)benzamide
CID 58973092
1-[6-(cyclopropylamino)pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 136547756

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide?
The IUPAC name of 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide (CID 161446543) is 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide.
What is the SMILES notation for 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide?
The canonical SMILES for 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide is Cc1ccc(-c2ccoc2C(N)=O)cc1Nc1nccn1-c1cc(NC2CC2)ncn1.
What is the InChIKey of 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide?
The InChIKey is VZYUMRXFZZVBFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N7O2/c1-13-2-3-14(16-6-9-31-20(16)21(23)30)10-17(13)28-22-24-7-8-29(22)19-11-18(25-12-26-19)27-15-4-5-15/h2-3,6-12,15H,4-5H2,1H3,(H2,23,30)(H,24,28)(H,25,26,27).
What are the key properties of 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide?
3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide has a molecular weight of 415.46 g/mol, XLogP of 3.65, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[1-[6-(cyclopropylamino)pyrimidin-4-yl]imidazol-2-yl]amino]-4-methylphenyl]furan-2-carboxamide is sourced from PubChem (CID 161446543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).