(3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol

C26H24N6O — CID 118388589

About (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol

(3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 118388589) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

• Compound Name: (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
• PubChem CID: 118388589
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol
• SMILES: O[C@@H]1CCN(c2nc(-c3ccnc4[nH]c5ccccc5c34)nc3cncc(C4CCC4)c23)C1
• InChI: InChI=1S/C26H24N6O/c33-16-9-11-32(14-16)26-23-19(15-4-3-5-15)12-27-13-21(23)30-24(31-26)18-8-10-28-25-22(18)17-6-1-2-7-20(17)29-25/h1-2,6-8,10,12-13,15-16,33H,3-5,9,11,14H2,(H,28,29)/t16-/m1/s1
• InChIKey: OODSMHCTSZTQSP-MRXNPFEDSA-N
• XLogP: 4.56
• TPSA: 90.82 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?

The IUPAC name of (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol (CID 118388589) is (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol.

What is the SMILES notation for (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?

The canonical SMILES for (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol is O[C@@H]1CCN(c2nc(-c3ccnc4[nH]c5ccccc5c34)nc3cncc(C4CCC4)c23)C1.

What is the InChIKey of (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?

The InChIKey is OODSMHCTSZTQSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C26H24N6O/c33-16-9-11-32(14-16)26-23-19(15-4-3-5-15)12-27-13-21(23)30-24(31-26)18-8-10-28-25-22(18)17-6-1-2-7-20(17)29-25/h1-2,6-8,10,12-13,15-16,33H,3-5,9,11,14H2,(H,28,29)/t16-/m1/s1.

What are the key properties of (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol?

(3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 436.52 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-1-[5-cyclobutyl-2-(9H-pyrido[2,3-b]indol-4-yl)pyrido[3,4-d]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 118388589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).