4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide

C24H23ClN8O2 — CID 156898919

About 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide

4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide (PubChem CID 156898919) has the molecular formula C24H23ClN8O2 and a molecular weight of 490.96 g/mol. Its IUPAC name is 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide.

Molecular Properties

• Compound Name: 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide
• PubChem CID: 156898919
• Molecular Formula: C24H23ClN8O2
• Molecular Weight: 490.96 g/mol
• Exact Mass: 490.16
• IUPAC Name: 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide
• SMILES: CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccnc3o2)N1
• InChI: InChI=1S/C24H23ClN8O2/c1-13-6-7-16(17(25)9-13)20-19(21(34)27-10-15-11-28-33(3)12-15)14(2)29-23(31-20)32-24-30-18-5-4-8-26-22(18)35-24/h4-9,11-12,20H,10H2,1-3H3,(H,27,34)(H2,29,30,31,32)
• InChIKey: FYVDTYKROFRHLV-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 122.26 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.96
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide?

The IUPAC name of 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide (CID 156898919) is 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide.

What is the SMILES notation for 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide?

The canonical SMILES for 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide is CC1=C(C(=O)NCc2cnn(C)c2)C(c2ccc(C)cc2Cl)N=C(Nc2nc3cccnc3o2)N1.

What is the InChIKey of 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide?

The InChIKey is FYVDTYKROFRHLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN8O2/c1-13-6-7-16(17(25)9-13)20-19(21(34)27-10-15-11-28-33(3)12-15)14(2)29-23(31-20)32-24-30-18-5-4-8-26-22(18)35-24/h4-9,11-12,20H,10H2,1-3H3,(H,27,34)(H2,29,30,31,32).

What are the key properties of 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide?

4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide has a molecular weight of 490.96 g/mol, XLogP of 3.62, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-chloro-4-methylphenyl)-6-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-([1,3]oxazolo[5,4-b]pyridin-2-ylamino)-1,4-dihydropyrimidine-5-carboxamide is sourced from PubChem (CID 156898919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).