[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone

C25H24FN5O — CID 118671727

IUPAC[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCN(C)CC3)ccc12
InChIInChI=1S/C25H24FN5O/c1-17-16-31(25-27-14-19(15-28-25)21-5-3-4-6-22(21)26)23-13-18(7-8-20(17)23)24(32)30-11-9-29(2)10-12-30/h3-8,13-16H,9-12H2,1-2H3
InChIKeyDSPVMHRPNFGWLS-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.92
Rot. Bonds3

About [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone

[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 118671727) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID118671727
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCN(C)CC3)ccc12
InChIInChI=1S/C25H24FN5O/c1-17-16-31(25-27-14-19(15-28-25)21-5-3-4-6-22(21)26)23-13-18(7-8-20(17)23)24(32)30-11-9-29(2)10-12-30/h3-8,13-16H,9-12H2,1-2H3
InChIKeyDSPVMHRPNFGWLS-UHFFFAOYSA-N
XLogP3.92
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone (CID 118671727) is [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone is Cc1cn(-c2ncc(-c3ccccc3F)cn2)c2cc(C(=O)N3CCN(C)CC3)ccc12.
What is the InChIKey of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DSPVMHRPNFGWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-17-16-31(25-27-14-19(15-28-25)21-5-3-4-6-22(21)26)23-13-18(7-8-20(17)23)24(32)30-11-9-29(2)10-12-30/h3-8,13-16H,9-12H2,1-2H3.
What are the key properties of [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone?
[1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 429.50 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[5-(2-fluorophenyl)pyrimidin-2-yl]-3-methylindol-6-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 118671727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).