(3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol

C27H32FN5O — CID 130352376

About (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol

(3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol (PubChem CID 130352376) has the molecular formula C27H32FN5O and a molecular weight of 461.59 g/mol. Its IUPAC name is (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
• PubChem CID: 130352376
• Molecular Formula: C27H32FN5O
• Molecular Weight: 461.59 g/mol
• Exact Mass: 461.26
• IUPAC Name: (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol
• SMILES: Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N4CC[C@@H](O)C4)cc23)CC1
• InChI: InChI=1S/C27H32FN5O/c1-18-5-2-3-6-21(18)19-7-12-32(13-8-19)25-22-15-24(33-14-9-20(34)17-33)29-16-23(22)30-26(31-25)27(28)10-4-11-27/h2-3,5-6,15-16,19-20,34H,4,7-14,17H2,1H3/t20-/m1/s1
• InChIKey: ZVEVZHBAQFNJMB-HXUWFJFHSA-N
• XLogP: 4.64
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.59
LogP ≤ 5	4.64
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?

The IUPAC name of (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol (CID 130352376) is (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?

The canonical SMILES for (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol is Cc1ccccc1C1CCN(c2nc(C3(F)CCC3)nc3cnc(N4CC[C@@H](O)C4)cc23)CC1.

What is the InChIKey of (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?

The InChIKey is ZVEVZHBAQFNJMB-HXUWFJFHSA-N. The full InChI is InChI=1S/C27H32FN5O/c1-18-5-2-3-6-21(18)19-7-12-32(13-8-19)25-22-15-24(33-14-9-20(34)17-33)29-16-23(22)30-26(31-25)27(28)10-4-11-27/h2-3,5-6,15-16,19-20,34H,4,7-14,17H2,1H3/t20-/m1/s1.

What are the key properties of (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol?

(3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol has a molecular weight of 461.59 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[2-(1-fluorocyclobutyl)-4-[4-(2-methylphenyl)piperidin-1-yl]pyrido[3,4-d]pyrimidin-6-yl]pyrrolidin-3-ol is sourced from PubChem (CID 130352376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).