7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C22H28N6O3 — CID 136891404

About 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 136891404) has the molecular formula C22H28N6O3 and a molecular weight of 424.51 g/mol. Its IUPAC name is 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

• Compound Name: 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• PubChem CID: 136891404
• Molecular Formula: C22H28N6O3
• Molecular Weight: 424.51 g/mol
• Exact Mass: 424.22
• IUPAC Name: 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
• SMILES: CC(C)c1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)n[nH]1
• InChI: InChI=1S/C22H28N6O3/c1-12(2)16-9-17(26-25-16)22(31)27-7-5-14(10-27)19-23-18-11-28(21(30)13-3-4-13)8-6-15(18)20(29)24-19/h9,12-14H,3-8,10-11H2,1-2H3,(H,25,26)(H,23,24,29)/t14-/m0/s1
• InChIKey: GFVQUGMWUHTZNJ-AWEZNQCLSA-N
• XLogP: 1.54
• TPSA: 115.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.51
LogP ≤ 5	1.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The IUPAC name of 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 136891404) is 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

What is the SMILES notation for 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The canonical SMILES for 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)c1cc(C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C(=O)C3CC3)C4)C2)n[nH]1.

What is the InChIKey of 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

The InChIKey is GFVQUGMWUHTZNJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H28N6O3/c1-12(2)16-9-17(26-25-16)22(31)27-7-5-14(10-27)19-23-18-11-28(21(30)13-3-4-13)8-6-15(18)20(29)24-19/h9,12-14H,3-8,10-11H2,1-2H3,(H,25,26)(H,23,24,29)/t14-/m0/s1.

What are the key properties of 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?

7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 424.51 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(cyclopropanecarbonyl)-2-[(3S)-1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 136891404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).