N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine

C29H32F2N6 — CID 129202793

About N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine

N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine (PubChem CID 129202793) has the molecular formula C29H32F2N6 and a molecular weight of 502.61 g/mol. Its IUPAC name is N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-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-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
• PubChem CID: 129202793
• Molecular Formula: C29H32F2N6
• Molecular Weight: 502.61 g/mol
• Exact Mass: 502.27
• IUPAC Name: N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine
• SMILES: CCN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5c(c4)C4(CCCC4)C(C)=N5)n3)nc2)CC1
• InChI: InChI=1S/C29H32F2N6/c1-3-37-12-8-19(9-13-37)20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-18(2)29(22)10-4-5-11-29/h6-7,14-17,19H,3-5,8-13H2,1-2H3,(H,32,33,35,36)
• InChIKey: BTTJTCLIZBSDNP-UHFFFAOYSA-N
• XLogP: 6.68
• TPSA: 66.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	502.61
LogP ≤ 5	6.68
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-(7'-fluoro-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-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine (CID 129202793) is N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-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-(7'-fluoro-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-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine is CCN1CCC(c2ccc(Nc3ncc(F)c(-c4cc(F)c5c(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-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine?

The InChIKey is BTTJTCLIZBSDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32F2N6/c1-3-37-12-8-19(9-13-37)20-6-7-25(32-16-20)35-28-33-17-24(31)26(36-28)21-14-22-27(23(30)15-21)34-18(2)29(22)10-4-5-11-29/h6-7,14-17,19H,3-5,8-13H2,1-2H3,(H,32,33,35,36).

What are the key properties of N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine?

N-[5-(1-ethylpiperidin-4-yl)-2-pyridinyl]-5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine has a molecular weight of 502.61 g/mol, XLogP of 6.68, 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-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)pyrimidin-2-amine is sourced from PubChem (CID 129202793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).