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

C27H28F2N6 — CID 129202799

IUPAC5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(C5CCNCC5)cn4)ncc3F)cc2C12CCCC2
InChIInChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)
InChIKeyOLFNLUGZKOQDEV-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.95
Rot. Bonds4

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

5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 129202799) has the molecular formula C27H28F2N6 and a molecular weight of 474.56 g/mol. Its IUPAC name is 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID129202799
Molecular FormulaC27H28F2N6
Molecular Weight474.56 g/mol
Exact Mass474.23
IUPAC Name5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(C5CCNCC5)cn4)ncc3F)cc2C12CCCC2
InChIInChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35)
InChIKeyOLFNLUGZKOQDEV-UHFFFAOYSA-N
XLogP5.95
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine (CID 129202799) is 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine is CC1=Nc2c(F)cc(-c3nc(Nc4ccc(C5CCNCC5)cn4)ncc3F)cc2C12CCCC2.
What is the InChIKey of 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is OLFNLUGZKOQDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F2N6/c1-16-27(8-2-3-9-27)20-12-19(13-21(28)25(20)33-16)24-22(29)15-32-26(35-24)34-23-5-4-18(14-31-23)17-6-10-30-11-7-17/h4-5,12-15,17,30H,2-3,6-11H2,1H3,(H,31,32,34,35).
What are the key properties of 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 474.56 g/mol, XLogP of 5.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperidin-4-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 129202799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).