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

C23H29N7O2 — CID 140917821

IUPACN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCC2)ccc(-c2ccnc(Nc3cnn(C)c3)n2)c1OC(C)C
InChIInChI=1S/C23H29N7O2/c1-15(2)32-21-16(3)17(12-25-23(31)30-10-5-11-30)6-7-19(21)20-8-9-24-22(28-20)27-18-13-26-29(4)14-18/h6-9,13-15H,5,10-12H2,1-4H3,(H,25,31)(H,24,27,28)
InChIKeyMPZBLCKNHKHGIC-UHFFFAOYSA-N
MW435.53 g/mol
LogP3.63
Rot. Bonds7

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

N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide (PubChem CID 140917821) has the molecular formula C23H29N7O2 and a molecular weight of 435.53 g/mol. Its IUPAC name is N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide
PubChem CID140917821
Molecular FormulaC23H29N7O2
Molecular Weight435.53 g/mol
Exact Mass435.24
IUPAC NameN-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide
SMILESCc1c(CNC(=O)N2CCC2)ccc(-c2ccnc(Nc3cnn(C)c3)n2)c1OC(C)C
InChIInChI=1S/C23H29N7O2/c1-15(2)32-21-16(3)17(12-25-23(31)30-10-5-11-30)6-7-19(21)20-8-9-24-22(28-20)27-18-13-26-29(4)14-18/h6-9,13-15H,5,10-12H2,1-4H3,(H,25,31)(H,24,27,28)
InChIKeyMPZBLCKNHKHGIC-UHFFFAOYSA-N
XLogP3.63
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1-methylpyrazol-4-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636750
N-[[2-methyl-6-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-pyridinyl]methyl]-1,3-thiazole-5-carboxamide
CID 158549212
N-[[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-methylphenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139701
1-(1-bicyclo[2.2.2]octanyl)-3-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]urea
CID 118139529
1-tert-butyl-N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]pyrazole-4-carboxamide
CID 118139627
2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]benzoic acid
CID 150793941
N-[[4-[2-[[1-(2-methoxyethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-2-(trifluoromethyl)phenyl]methyl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 118139509
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]methyl]-5,6-dihydro-4H-cyclopenta[d][1,3]thiazole-2-carboxamide
CID 118139723
1-methyl-3-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]pyrazole-5-carboxylic acid
CID 163218257
N-[1-[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]ethyl]-3-propan-2-yloxyazetidine-1-carboxamide
CID 166629483
1-[4-[4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]piperazin-1-yl]ethanone
CID 152574958
4-[4-[(chloroamino)methyl]-3-methylphenyl]-N-(1-methylpyrazol-4-yl)pyrimidin-2-amine
CID 122650813

Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide?
The IUPAC name of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide (CID 140917821) is N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide.
What is the SMILES notation for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide?
The canonical SMILES for N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide is Cc1c(CNC(=O)N2CCC2)ccc(-c2ccnc(Nc3cnn(C)c3)n2)c1OC(C)C.
What is the InChIKey of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide?
The InChIKey is MPZBLCKNHKHGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O2/c1-15(2)32-21-16(3)17(12-25-23(31)30-10-5-11-30)6-7-19(21)20-8-9-24-22(28-20)27-18-13-26-29(4)14-18/h6-9,13-15H,5,10-12H2,1-4H3,(H,25,31)(H,24,27,28).
What are the key properties of N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide?
N-[[2-methyl-4-[2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide has a molecular weight of 435.53 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 7 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]-3-propan-2-yloxyphenyl]methyl]azetidine-1-carboxamide is sourced from PubChem (CID 140917821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).