1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

C24H24N6O — CID 92615778

About 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one

1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (PubChem CID 92615778) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

Molecular Properties

• Compound Name: 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
• PubChem CID: 92615778
• Molecular Formula: C24H24N6O
• Molecular Weight: 412.50 g/mol
• Exact Mass: 412.20
• IUPAC Name: 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one
• SMILES: Nc1ncc(-c2ccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)nc2)cn1
• InChI: InChI=1S/C24H24N6O/c25-24-28-14-18(15-29-24)16-7-9-21(27-12-16)22-6-3-11-30(22)23(31)10-8-17-13-26-20-5-2-1-4-19(17)20/h1-2,4-5,7,9,12-15,22,26H,3,6,8,10-11H2,(H2,25,28,29)/t22-/m0/s1
• InChIKey: GRAGJYINALZJAD-QFIPXVFZSA-N
• XLogP: 3.90
• TPSA: 100.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.50
LogP ≤ 5	3.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?

The IUPAC name of 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one (CID 92615778) is 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one.

What is the SMILES notation for 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?

The canonical SMILES for 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is Nc1ncc(-c2ccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)nc2)cn1.

What is the InChIKey of 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?

The InChIKey is GRAGJYINALZJAD-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H24N6O/c25-24-28-14-18(15-29-24)16-7-9-21(27-12-16)22-6-3-11-30(22)23(31)10-8-17-13-26-20-5-2-1-4-19(17)20/h1-2,4-5,7,9,12-15,22,26H,3,6,8,10-11H2,(H2,25,28,29)/t22-/m0/s1.

What are the key properties of 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one?

1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one has a molecular weight of 412.50 g/mol, XLogP of 3.90, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-2-[5-(2-aminopyrimidin-5-yl)-2-pyridinyl]pyrrolidin-1-yl]-3-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 92615778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).