4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine

C33H43N5 — CID 142511178

IUPAC4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
SMILESC=C1C(C2CC2)=CC(C2=CC(=C3CCC3)N3C=C(N4CCN[C@@H](C)C4)C=CC3=N2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C33H43N5/c1-6-22(2)23(3)18-37-20-28(16-30(25(37)5)26-10-11-26)31-17-32(27-8-7-9-27)38-21-29(12-13-33(38)35-31)36-15-14-34-24(4)19-36/h12-13,16-18,20-22,24,26,34H,5-11,14-15,19H2,1-4H3/b23-18-/t22?,24-/m0/s1
InChIKeyXCAFJNAYWWRCTF-SVCXXMKJSA-N
MW509.74 g/mol
LogP6.73
Rot. Bonds6

About 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine

4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine (PubChem CID 142511178) has the molecular formula C33H43N5 and a molecular weight of 509.74 g/mol. Its IUPAC name is 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
PubChem CID142511178
Molecular FormulaC33H43N5
Molecular Weight509.74 g/mol
Exact Mass509.35
IUPAC Name4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine
SMILESC=C1C(C2CC2)=CC(C2=CC(=C3CCC3)N3C=C(N4CCN[C@@H](C)C4)C=CC3=N2)=CN1/C=C(/C)C(C)CC
InChIInChI=1S/C33H43N5/c1-6-22(2)23(3)18-37-20-28(16-30(25(37)5)26-10-11-26)31-17-32(27-8-7-9-27)38-21-29(12-13-33(38)35-31)36-15-14-34-24(4)19-36/h12-13,16-18,20-22,24,26,34H,5-11,14-15,19H2,1-4H3/b23-18-/t22?,24-/m0/s1
InChIKeyXCAFJNAYWWRCTF-SVCXXMKJSA-N
XLogP6.73
TPSA34.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.74
LogP ≤ 56.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine 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

1-cyclobutyl-N-[[3-(2,6-dimethylidenepiperidin-3-yl)-2-methyl-4-methylidene-5,6-dihydroquinazolin-5-yl]methyl]ethenamine
CID 132064841
1-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]-9-methylpyrido[1,2-a]pyrimidin-7-yl]-N-ethylpiperidin-4-amine;(Z)-3,4-dimethyloct-4-ene
CID 142510937
(E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,5-trimethyl-4-methylidenehept-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene;ethane
CID 142510942
(E)-1-(4-cyclobutylidene-7-piperazin-1-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,5-trimethyl-4-methylidenehept-2-en-1-imine
CID 142510943
(E)-1-[4-cyclobutylidene-7-(4-cyclopropyl-3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142510965
(E)-1-[4-cyclobutylidene-7-(3-methylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehept-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142510967
(E)-1-[4-cyclobutylidene-7-(3,4-dimethylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142510973
2-[4-cyclobutylidene-2-[(2E,4Z)-5-ethyl-6-methylhepta-2,4,6-trien-3-yl]pyrido[1,2-a]pyrimidin-7-yl]-3,4,6,7,10,10a-hexahydro-1H-pyrazino[1,2-a]azepine;(Z)-4,5-dimethylhept-3-en-1-yne
CID 142510993
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrazino[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511030
(E)-1-[4-cyclobutylidene-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511033
4-cyclobutylidene-7-[(3R)-3-methyl-4-propan-2-ylpiperazin-1-yl]-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrido[1,2-a]pyrimidine
CID 142511076
(2E)-1-[4-cyclopropylidene-7-[(2S,6S)-2,6-dimethylpiperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511148

Frequently Asked Questions

What is the IUPAC name of 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
The IUPAC name of 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine (CID 142511178) is 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
The canonical SMILES for 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine is C=C1C(C2CC2)=CC(C2=CC(=C3CCC3)N3C=C(N4CCN[C@@H](C)C4)C=CC3=N2)=CN1/C=C(/C)C(C)CC.
What is the InChIKey of 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
The InChIKey is XCAFJNAYWWRCTF-SVCXXMKJSA-N. The full InChI is InChI=1S/C33H43N5/c1-6-22(2)23(3)18-37-20-28(16-30(25(37)5)26-10-11-26)31-17-32(27-8-7-9-27)38-21-29(12-13-33(38)35-31)36-15-14-34-24(4)19-36/h12-13,16-18,20-22,24,26,34H,5-11,14-15,19H2,1-4H3/b23-18-/t22?,24-/m0/s1.
What are the key properties of 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine?
4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine has a molecular weight of 509.74 g/mol, XLogP of 6.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclobutylidene-2-[5-cyclopropyl-1-[(Z)-2,3-dimethylpent-1-enyl]-6-methylidene-3-pyridinyl]-7-[(3S)-3-methylpiperazin-1-yl]pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 142511178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).