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

C26H27F2N7 — CID 129202802

IUPAC5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2C12CCCC2
InChIInChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)
InChIKeyQNUFZYZRLJGZJL-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.89
Rot. Bonds4

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

5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (PubChem CID 129202802) has the molecular formula C26H27F2N7 and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
PubChem CID129202802
Molecular FormulaC26H27F2N7
Molecular Weight475.55 g/mol
Exact Mass475.23
IUPAC Name5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine
SMILESCC1=Nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2C12CCCC2
InChIInChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34)
InChIKeyQNUFZYZRLJGZJL-UHFFFAOYSA-N
XLogP4.89
TPSA78.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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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-piperazin-1-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-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine (CID 129202802) is 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-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-piperazin-1-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-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is CC1=Nc2c(F)cc(-c3nc(Nc4ccc(N5CCNCC5)cn4)ncc3F)cc2C12CCCC2.
What is the InChIKey of 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
The InChIKey is QNUFZYZRLJGZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27F2N7/c1-16-26(6-2-3-7-26)19-12-17(13-20(27)24(19)32-16)23-21(28)15-31-25(34-23)33-22-5-4-18(14-30-22)35-10-8-29-9-11-35/h4-5,12-15,29H,2-3,6-11H2,1H3,(H,30,31,33,34).
What are the key properties of 5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine?
5-fluoro-4-(7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indole]-5'-yl)-N-(5-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine has a molecular weight of 475.55 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-piperazin-1-yl-2-pyridinyl)pyrimidin-2-amine is sourced from PubChem (CID 129202802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).