(4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide

C24H26ClN5O4 — CID 24967787

About (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide

(4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide (PubChem CID 24967787) has the molecular formula C24H26ClN5O4 and a molecular weight of 483.96 g/mol. Its IUPAC name is (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide.

Molecular Properties

• Compound Name: (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide
• PubChem CID: 24967787
• Molecular Formula: C24H26ClN5O4
• Molecular Weight: 483.96 g/mol
• Exact Mass: 483.17
• IUPAC Name: (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide
• SMILES: CC(C)NC(=O)[C@@H]1OCO[C@H]1CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(C3CC3)c2n1
• InChI: InChI=1S/C24H26ClN5O4/c1-13(2)28-22(31)20-19(33-12-34-20)11-27-24-26-10-14-9-17(16-5-3-4-6-18(16)25)23(32)30(15-7-8-15)21(14)29-24/h3-6,9-10,13,15,19-20H,7-8,11-12H2,1-2H3,(H,28,31)(H,26,27,29)/t19-,20+/m0/s1
• InChIKey: GTIOJZBCLMHIRU-VQTJNVASSA-N
• XLogP: 3.12
• TPSA: 107.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.96
LogP ≤ 5	3.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide?

The IUPAC name of (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide (CID 24967787) is (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide.

What is the SMILES notation for (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide?

The canonical SMILES for (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide is CC(C)NC(=O)[C@@H]1OCO[C@H]1CNc1ncc2cc(-c3ccccc3Cl)c(=O)n(C3CC3)c2n1.

What is the InChIKey of (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide?

The InChIKey is GTIOJZBCLMHIRU-VQTJNVASSA-N. The full InChI is InChI=1S/C24H26ClN5O4/c1-13(2)28-22(31)20-19(33-12-34-20)11-27-24-26-10-14-9-17(16-5-3-4-6-18(16)25)23(32)30(15-7-8-15)21(14)29-24/h3-6,9-10,13,15,19-20H,7-8,11-12H2,1-2H3,(H,28,31)(H,26,27,29)/t19-,20+/m0/s1.

What are the key properties of (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide?

(4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide has a molecular weight of 483.96 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4R,5S)-5-[[[6-(2-chlorophenyl)-8-cyclopropyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]methyl]-N-propan-2-yl-1,3-dioxolane-4-carboxamide is sourced from PubChem (CID 24967787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).