3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide

C23H26N6O2 — CID 95807796

IUPAC3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C23H26N6O2/c1-23(2,3)18-13-17(29(5)27-18)22(31)25-16-11-7-6-9-14(16)20-26-21(30)15-10-8-12-24-19(15)28(20)4/h6-13,20H,1-5H3,(H,25,31)(H,26,30)/t20-/m1/s1
InChIKeyWFAXQPNTHFOOTE-HXUWFJFHSA-N
MW418.50 g/mol
LogP3.24
Rot. Bonds3

About 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide

3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide (PubChem CID 95807796) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide
PubChem CID95807796
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide
SMILESCN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C
InChIInChI=1S/C23H26N6O2/c1-23(2,3)18-13-17(29(5)27-18)22(31)25-16-11-7-6-9-14(16)20-26-21(30)15-10-8-12-24-19(15)28(20)4/h6-13,20H,1-5H3,(H,25,31)(H,26,30)/t20-/m1/s1
InChIKeyWFAXQPNTHFOOTE-HXUWFJFHSA-N
XLogP3.24
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-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

N-[2-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyridine-2-carboxamide
CID 95807786
N-[2-(1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 110219303
3-tert-butyl-1-methyl-N-(2-pyrazol-1-yl-3-pyridinyl)pyrazole-5-carboxamide
CID 87024966
3-(3,5-dimethylpyrazol-1-yl)-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
CID 95807788
(2S)-3-(3,5-dimethylpyrazol-1-yl)-2-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]propanamide
CID 95807805
3-tert-butyl-1-methyl-N-(2,3,4-trifluorophenyl)pyrazole-5-carboxamide
CID 87023647
3-N,5-N-bis(2-tert-butylphenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097819
3-tert-butyl-1-methyl-N-naphthalen-2-ylpyrazole-5-carboxamide
CID 78893081
2-[[2-[2-[(3-tert-butyl-1-methylpyrazole-5-carbonyl)amino]phenyl]acetyl]amino]-4-methylpentanoic acid
CID 23827113
3-tert-butyl-N,1-dimethylpyrazole-5-carboxamide
CID 70247409
N-[4-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]-2-pyrrolidin-1-ylacetamide
CID 51599012
(1S)-N-[4-[(2S)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]cyclohex-3-ene-1-carboxamide
CID 124810746

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide?
The IUPAC name of 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide (CID 95807796) is 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide.
What is the SMILES notation for 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide?
The canonical SMILES for 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide is CN1c2ncccc2C(=O)N[C@H]1c1ccccc1NC(=O)c1cc(C(C)(C)C)nn1C.
What is the InChIKey of 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide?
The InChIKey is WFAXQPNTHFOOTE-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-23(2,3)18-13-17(29(5)27-18)22(31)25-16-11-7-6-9-14(16)20-26-21(30)15-10-8-12-24-19(15)28(20)4/h6-13,20H,1-5H3,(H,25,31)(H,26,30)/t20-/m1/s1.
What are the key properties of 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide?
3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-1-methyl-N-[2-[(2R)-1-methyl-4-oxo-2,3-dihydropyrido[2,3-d]pyrimidin-2-yl]phenyl]pyrazole-5-carboxamide is sourced from PubChem (CID 95807796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).