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

C21H24N10O2 — CID 54760944

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

6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (PubChem CID 54760944) has the molecular formula C21H24N10O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• PubChem CID: 54760944
• Molecular Formula: C21H24N10O2
• Molecular Weight: 448.49 g/mol
• Exact Mass: 448.21
• IUPAC Name: 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide
• SMILES: CN1CC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1
• InChI: InChI=1S/C21H24N10O2/c1-30-9-14(10-30)27-21(33)18-16(8-25-31(18)2)29-20(32)17-19(26-13-5-22-11-23-6-13)24-7-15(28-17)12-3-4-12/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,33)(H,29,32)
• InChIKey: GEEDHFJOHKDCCZ-UHFFFAOYSA-N
• XLogP: 0.92
• TPSA: 142.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.49
LogP ≤ 5	0.92
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide (CID 54760944) is 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide.

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

The canonical SMILES for 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is CN1CC(NC(=O)c2c(NC(=O)c3nc(C4CC4)cnc3Nc3cncnc3)cnn2C)C1.

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

The InChIKey is GEEDHFJOHKDCCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N10O2/c1-30-9-14(10-30)27-21(33)18-16(8-25-31(18)2)29-20(32)17-19(26-13-5-22-11-23-6-13)24-7-15(28-17)12-3-4-12/h5-8,11-12,14H,3-4,9-10H2,1-2H3,(H,24,26)(H,27,33)(H,29,32).

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

6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 0.92, 7 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[1-methyl-5-[(1-methylazetidin-3-yl)carbamoyl]pyrazol-4-yl]-3-(pyrimidin-5-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 54760944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).