[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine

C53H51N13O — CID 158556922

About [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine

[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine (PubChem CID 158556922) has the molecular formula C53H51N13O and a molecular weight of 886.08 g/mol. Its IUPAC name is [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

Molecular Properties

• Compound Name: [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
• PubChem CID: 158556922
• Molecular Formula: C53H51N13O
• Molecular Weight: 886.08 g/mol
• Exact Mass: 885.43
• IUPAC Name: [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine
• SMILES: CC(C)NC[C@H]1CCCN1c1nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c2ncnn12.OC[C@H]1CCCN1c1nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c2ncnn12
• InChI: InChI=1S/C28H29N7.C25H22N6O/c1-19(2)30-17-24-8-5-15-34(24)28-33-26(21-11-13-29-14-12-21)25(27-31-18-32-35(27)28)23-10-9-20-6-3-4-7-22(20)16-23;32-15-21-6-3-13-30(21)25-29-23(18-9-11-26-12-10-18)22(24-27-16-28-31(24)25)20-8-7-17-4-1-2-5-19(17)14-20/h3-4,6-7,9-14,16,18-19,24,30H,5,8,15,17H2,1-2H3;1-2,4-5,7-12,14,16,21,32H,3,6,13,15H2/t24-;21-/m11/s1
• InChIKey: HQKHOUQXXWSHHX-XDAHSEGUSA-N
• XLogP: 8.94
• TPSA: 150.68 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	886.08
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?

The IUPAC name of [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine (CID 158556922) is [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine.

What is the SMILES notation for [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?

The canonical SMILES for [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine is CC(C)NC[C@H]1CCCN1c1nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c2ncnn12.OC[C@H]1CCCN1c1nc(-c2ccncc2)c(-c2ccc3ccccc3c2)c2ncnn12.

What is the InChIKey of [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?

The InChIKey is HQKHOUQXXWSHHX-XDAHSEGUSA-N. The full InChI is InChI=1S/C28H29N7.C25H22N6O/c1-19(2)30-17-24-8-5-15-34(24)28-33-26(21-11-13-29-14-12-21)25(27-31-18-32-35(27)28)23-10-9-20-6-3-4-7-22(20)16-23;32-15-21-6-3-13-30(21)25-29-23(18-9-11-26-12-10-18)22(24-27-16-28-31(24)25)20-8-7-17-4-1-2-5-19(17)14-20/h3-4,6-7,9-14,16,18-19,24,30H,5,8,15,17H2,1-2H3;1-2,4-5,7-12,14,16,21,32H,3,6,13,15H2/t24-;21-/m11/s1.

What are the key properties of [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine?

[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine has a molecular weight of 886.08 g/mol, XLogP of 8.94, 10 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methanol;N-[[(2R)-1-(8-naphthalen-2-yl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl)pyrrolidin-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 158556922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).