N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine

C29H33FN6 — CID 129202805

About N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine

N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine (PubChem CID 129202805) has the molecular formula C29H33FN6 and a molecular weight of 484.62 g/mol. Its IUPAC name is N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine.

Molecular Properties

• Compound Name: N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
• PubChem CID: 129202805
• Molecular Formula: C29H33FN6
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.28
• IUPAC Name: N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
• SMILES: CCN1CCC(c2ccc(Nc3ncc(F)c(-c4ccc5c(c4)C4(CCCC4)C(C)=N5)n3)nc2)CC1
• InChI: InChI=1S/C29H33FN6/c1-3-36-14-10-20(11-15-36)22-7-9-26(31-17-22)34-28-32-18-24(30)27(35-28)21-6-8-25-23(16-21)29(19(2)33-25)12-4-5-13-29/h6-9,16-18,20H,3-5,10-15H2,1-2H3,(H,31,32,34,35)
• InChIKey: SGWSLLDTSFNPEK-UHFFFAOYSA-N
• XLogP: 6.54
• TPSA: 66.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.62
LogP ≤ 5	6.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine?

The IUPAC name of N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine (CID 129202805) is N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine.

What is the SMILES notation for N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine?

The canonical SMILES for N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine is CCN1CCC(c2ccc(Nc3ncc(F)c(-c4ccc5c(c4)C4(CCCC4)C(C)=N5)n3)nc2)CC1.

What is the InChIKey of N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine?

The InChIKey is SGWSLLDTSFNPEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33FN6/c1-3-36-14-10-20(11-15-36)22-7-9-26(31-17-22)34-28-32-18-24(30)27(35-28)21-6-8-25-23(16-21)29(19(2)33-25)12-4-5-13-29/h6-9,16-18,20H,3-5,10-15H2,1-2H3,(H,31,32,34,35).

What are the key properties of N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine?

N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine has a molecular weight of 484.62 g/mol, XLogP of 6.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine is sourced from PubChem (CID 129202805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).