6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

C20H21N9O3 — CID 54760941

About 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide

6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760941) has the molecular formula C20H21N9O3 and a molecular weight of 435.45 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• PubChem CID: 54760941
• Molecular Formula: C20H21N9O3
• Molecular Weight: 435.45 g/mol
• Exact Mass: 435.18
• IUPAC Name: 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• SMILES: Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCO1
• InChI: InChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30)
• InChIKey: QTTKVJJYXLZWQW-UHFFFAOYSA-N
• XLogP: 1.65
• TPSA: 140.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.45
LogP ≤ 5	1.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760941) is 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is Cn1ncc(NC(=O)c2nc(C3CC3)cnc2Nc2cncnc2)c1C(=O)N1CCCO1.

What is the InChIKey of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

The InChIKey is QTTKVJJYXLZWQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N9O3/c1-28-17(20(31)29-5-2-6-32-29)15(10-24-28)27-19(30)16-18(25-13-7-21-11-22-8-13)23-9-14(26-16)12-3-4-12/h7-12H,2-6H2,1H3,(H,23,25)(H,27,30).

What are the key properties of 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide?

6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 435.45 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[1-methyl-5-(1,2-oxazolidine-2-carbonyl)pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).