N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

C26H30N6O — CID 110265384

About N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine

N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (PubChem CID 110265384) has the molecular formula C26H30N6O and a molecular weight of 442.57 g/mol. Its IUPAC name is N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
• PubChem CID: 110265384
• Molecular Formula: C26H30N6O
• Molecular Weight: 442.57 g/mol
• Exact Mass: 442.25
• IUPAC Name: N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine
• SMILES: COc1ccc2c(c1)c(CN1CCCC1c1cccc(Nc3ncccn3)n1)cn2C(C)C
• InChI: InChI=1S/C26H30N6O/c1-18(2)32-17-19(21-15-20(33-3)10-11-23(21)32)16-31-14-5-8-24(31)22-7-4-9-25(29-22)30-26-27-12-6-13-28-26/h4,6-7,9-13,15,17-18,24H,5,8,14,16H2,1-3H3,(H,27,28,29,30)
• InChIKey: FQRKMDUUBKUSRD-UHFFFAOYSA-N
• XLogP: 5.50
• TPSA: 68.10 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.57
LogP ≤ 5	5.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The IUPAC name of N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine (CID 110265384) is N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine.

What is the SMILES notation for N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The canonical SMILES for N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is COc1ccc2c(c1)c(CN1CCCC1c1cccc(Nc3ncccn3)n1)cn2C(C)C.

What is the InChIKey of N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?

The InChIKey is FQRKMDUUBKUSRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N6O/c1-18(2)32-17-19(21-15-20(33-3)10-11-23(21)32)16-31-14-5-8-24(31)22-7-4-9-25(29-22)30-26-27-12-6-13-28-26/h4,6-7,9-13,15,17-18,24H,5,8,14,16H2,1-3H3,(H,27,28,29,30).

What are the key properties of N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine?

N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 442.57 g/mol, XLogP of 5.50, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[6-[1-[(5-methoxy-1-propan-2-ylindol-3-yl)methyl]pyrrolidin-2-yl]-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 110265384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).