N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide

C24H31N7O — CID 162676190

IUPACN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C24H31N7O/c1-16(2)9-18-13-31(14-18)24(32)26-11-20-6-5-19(10-17(20)3)22-7-8-25-23(29-22)28-21-12-27-30(4)15-21/h5-8,10,12,15-16,18H,9,11,13-14H2,1-4H3,(H,26,32)(H,25,28,29)
InChIKeySWWBAQUHFYAATO-UHFFFAOYSA-N
MW433.56 g/mol
LogP4.12
Rot. Bonds7

About N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide

N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide (PubChem CID 162676190) has the molecular formula C24H31N7O and a molecular weight of 433.56 g/mol. Its IUPAC name is N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide
PubChem CID162676190
Molecular FormulaC24H31N7O
Molecular Weight433.56 g/mol
Exact Mass433.26
IUPAC NameN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide
SMILESCc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(CC(C)C)C1
InChIInChI=1S/C24H31N7O/c1-16(2)9-18-13-31(14-18)24(32)26-11-20-6-5-19(10-17(20)3)22-7-8-25-23(29-22)28-21-12-27-30(4)15-21/h5-8,10,12,15-16,18H,9,11,13-14H2,1-4H3,(H,26,32)(H,25,28,29)
InChIKeySWWBAQUHFYAATO-UHFFFAOYSA-N
XLogP4.12
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.56
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide?
The IUPAC name of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide (CID 162676190) is N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide?
The canonical SMILES for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide is Cc1cc(-c2ccnc(Nc3cnn(C)c3)n2)ccc1CNC(=O)N1CC(CC(C)C)C1.
What is the InChIKey of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide?
The InChIKey is SWWBAQUHFYAATO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N7O/c1-16(2)9-18-13-31(14-18)24(32)26-11-20-6-5-19(10-17(20)3)22-7-8-25-23(29-22)28-21-12-27-30(4)15-21/h5-8,10,12,15-16,18H,9,11,13-14H2,1-4H3,(H,26,32)(H,25,28,29).
What are the key properties of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide?
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide has a molecular weight of 433.56 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-3-(2-methylpropyl)azetidine-1-carboxamide is sourced from PubChem (CID 162676190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).