7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one

C26H29FN8O3S — CID 162657272

IUPAC7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(Nc3cnn(C4CC4)c3)cn2c1=O
InChIInChI=1S/C26H29FN8O3S/c1-17-25(30-23-7-6-21(13-22(23)27)39(37,38)33-11-9-32(2)10-12-33)31-24-8-3-18(15-34(24)26(17)36)29-19-14-28-35(16-19)20-4-5-20/h3,6-8,13-16,20,29-30H,4-5,9-12H2,1-2H3
InChIKeyBFSKPRUNBBMNCF-UHFFFAOYSA-N
MW552.64 g/mol
LogP3.10
Rot. Bonds7

About 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one

7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 162657272) has the molecular formula C26H29FN8O3S and a molecular weight of 552.64 g/mol. Its IUPAC name is 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID162657272
Molecular FormulaC26H29FN8O3S
Molecular Weight552.64 g/mol
Exact Mass552.21
IUPAC Name7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(Nc3cnn(C4CC4)c3)cn2c1=O
InChIInChI=1S/C26H29FN8O3S/c1-17-25(30-23-7-6-21(13-22(23)27)39(37,38)33-11-9-32(2)10-12-33)31-24-8-3-18(15-34(24)26(17)36)29-19-14-28-35(16-19)20-4-5-20/h3,6-8,13-16,20,29-30H,4-5,9-12H2,1-2H3
InChIKeyBFSKPRUNBBMNCF-UHFFFAOYSA-N
XLogP3.10
TPSA116.87 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500552.64
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Nvs-bptf-1
CID 154827476
7-(1-Cyclopropylpyrazol-4-yl)-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methyl-1,9a-dihydropyrido[1,2-a]pyrimidin-4-one
CID 164625313
7-(1-Cyclopropylpyrazol-4-yl)-2-[[2-fluoranyl-4-(4-methylpiperazin-1-yl)sulfonyl-phenyl]amino]-3-methyl-pyrido[1,2-a]pyrimidin-4-one
CID 171365658
3-fluoro-4-[4-(1-methyl-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl)piperazin-1-yl]benzenesulfonamide
CID 137166951
1-[4-[3-cyclopropyl-5-(2-fluoro-4-iodoanilino)-6,8-dimethyl-2,4,7-trioxopyrido[4,3-d]pyrimidin-1-yl]pyrazol-1-yl]-N-methylmethanesulfonamide
CID 166080989
7-(1-Cyclopropylpyrazol-4-yl)-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfinylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 171639015
butyl N-[2-[4-[4-[[7-(1-cyclopropylpyrazol-4-yl)-3-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]amino]-3-fluorophenyl]sulfonylpiperazin-1-yl]ethyl]carbamate
CID 176334683
7-(1-Cyclopropylpyrazol-4-yl)-2-(2-fluoro-4-piperazin-1-ylsulfonylanilino)-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 176334688
2-[4-[4-(2-Aminoethyl)piperazin-1-yl]sulfonyl-2-fluoroanilino]-7-(1-cyclopropylpyrazol-4-yl)-3-methylpyrido[1,2-a]pyrimidin-4-one
CID 176334691
tert-butyl N-[2-[4-[4-[[7-(1-cyclopropylpyrazol-4-yl)-3-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]amino]-3-fluorophenyl]sulfonylpiperazin-1-yl]ethyl]carbamate
CID 176334692
13-[4-[4-[[7-(1-Cyclopropylpyrazol-4-yl)-3-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]amino]-3-fluorophenyl]sulfonylpiperazin-1-yl]tridecanoic acid
CID 176334694
Methyl 13-[4-[4-[[7-(1-cyclopropylpyrazol-4-yl)-3-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl]amino]-3-fluorophenyl]sulfonylpiperazin-1-yl]tridecanoate
CID 176334697

Frequently Asked Questions

What is the IUPAC name of 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one (CID 162657272) is 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one is Cc1c(Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2F)nc2ccc(Nc3cnn(C4CC4)c3)cn2c1=O.
What is the InChIKey of 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BFSKPRUNBBMNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8O3S/c1-17-25(30-23-7-6-21(13-22(23)27)39(37,38)33-11-9-32(2)10-12-33)31-24-8-3-18(15-34(24)26(17)36)29-19-14-28-35(16-19)20-4-5-20/h3,6-8,13-16,20,29-30H,4-5,9-12H2,1-2H3.
What are the key properties of 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one?
7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 552.64 g/mol, XLogP of 3.10, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-cyclopropylpyrazol-4-yl)amino]-2-[2-fluoro-4-(4-methylpiperazin-1-yl)sulfonylanilino]-3-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 162657272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).