N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide

C20H23N7O — CID 69093827

IUPACN-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23N7O/c1-14-11-21-19(23-17-12-22-26(2)13-17)25-18(14)15-5-7-16(8-6-15)24-20(28)27-9-3-4-10-27/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,28)(H,21,23,25)
InChIKeyBVUJOOHLTKLKOF-UHFFFAOYSA-N
MW377.45 g/mol
LogP3.56
Rot. Bonds4

About N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide

N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide (PubChem CID 69093827) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide
PubChem CID69093827
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC NameN-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide
SMILESCc1cnc(Nc2cnn(C)c2)nc1-c1ccc(NC(=O)N2CCCC2)cc1
InChIInChI=1S/C20H23N7O/c1-14-11-21-19(23-17-12-22-26(2)13-17)25-18(14)15-5-7-16(8-6-15)24-20(28)27-9-3-4-10-27/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,28)(H,21,23,25)
InChIKeyBVUJOOHLTKLKOF-UHFFFAOYSA-N
XLogP3.56
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide with MolForge

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Related Compounds

1-(2-hydroxyethyl)-3-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 69093755
2-fluoro-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 154930800
N-[(2S)-butan-2-yl]-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide
CID 69093738
N,N-dimethyl-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzenesulfonamide
CID 69093140
N-(1-methylpyrazol-4-yl)piperidine-1-carboxamide
CID 115589113
N-ethyl-4-[5-methyl-2-[[1-(2-oxo-2-piperidin-1-ylethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]benzamide
CID 69092879
N-(1-cyanopropyl)-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide
CID 165161648
N-[(1S)-1-cyanopropyl]-4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzamide
CID 147857430
4-(4-chloro-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69093900
4-(4-ethoxy-3-methylphenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 164844612
4-(4-cyclobutyloxy-3-fluorophenyl)-5-methyl-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 69082679
4-[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenol
CID 155203647

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide (CID 69093827) is N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide is Cc1cnc(Nc2cnn(C)c2)nc1-c1ccc(NC(=O)N2CCCC2)cc1.
What is the InChIKey of N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide?
The InChIKey is BVUJOOHLTKLKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c1-14-11-21-19(23-17-12-22-26(2)13-17)25-18(14)15-5-7-16(8-6-15)24-20(28)27-9-3-4-10-27/h5-8,11-13H,3-4,9-10H2,1-2H3,(H,24,28)(H,21,23,25).
What are the key properties of N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide?
N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 69093827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).