3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol

C21H23N5O — CID 118369299

IUPAC3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol
SMILESC=C(O)C(CCC)c1c(C)nc2c3ccccc3nn2c1-c1cnn(C)c1
InChIInChI=1S/C21H23N5O/c1-5-8-16(14(3)27)19-13(2)23-21-17-9-6-7-10-18(17)24-26(21)20(19)15-11-22-25(4)12-15/h6-7,9-12,16,27H,3,5,8H2,1-2,4H3
InChIKeyHWZDYCRGLGDKRH-UHFFFAOYSA-N
MW361.45 g/mol
LogP4.55
Rot. Bonds5

About 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol

3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol (PubChem CID 118369299) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol.

Molecular Properties

Compound Name3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol
PubChem CID118369299
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol
SMILESC=C(O)C(CCC)c1c(C)nc2c3ccccc3nn2c1-c1cnn(C)c1
InChIInChI=1S/C21H23N5O/c1-5-8-16(14(3)27)19-13(2)23-21-17-9-6-7-10-18(17)24-26(21)20(19)15-11-22-25(4)12-15/h6-7,9-12,16,27H,3,5,8H2,1-2,4H3
InChIKeyHWZDYCRGLGDKRH-UHFFFAOYSA-N
XLogP4.55
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol 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

PF-04254644
CID 24871823
Trans-4-{[4-(1h-Indazol-1-Yl)pyrimidin-2-Yl]amino}cyclohexanol
CID 24957306
1-Tert-Butyl-3-[(1h-Indol-3-Yl)methyl]-1h-Pyrazolo[3,4-D]pyrimidin-4-Amine
CID 129316173
(R)-2-(2,7-dimethylpyrazolo[1,5-a]pyrimidin-6-yl)-6-(2-(2-methylpyrrolidin-1-yl)ethyl)quinoline
CID 11538251
5-[1-[6-[(3R)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]pyrimidin-4-yl]indazol-6-yl]spiro[2.3]hexane-5-carbonitrile
CID 138550552
7-[2-(1-Imidazolyl)-5-methylimidazo[1,5-b]pyridazin-7-yl]-1-phenyl-1-heptanone
CID 455594
1-[(3R)-3-[4-amino-3-(1-methylindol-3-yl)pyrazolo[3,4-d]pyrimidin-1-yl]piperidin-1-yl]prop-2-en-1-one
CID 137348469
4,6-dimethyl-1-(3-methylbenzyl)-3-(1H-pyrrol-1-yl)-1H-pyrazolo[3,4-b]pyridine
CID 1477617
3-(1H-indol-5-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905188
3-(1H-indol-4-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905190
1-isopropyl-3-(quinolin-3-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905200
3-(1H-indol-6-yl)-1-isopropyl-1H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 24905201

Frequently Asked Questions

What is the IUPAC name of 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol?
The IUPAC name of 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol (CID 118369299) is 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol.
What is the SMILES notation for 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol?
The canonical SMILES for 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol is C=C(O)C(CCC)c1c(C)nc2c3ccccc3nn2c1-c1cnn(C)c1.
What is the InChIKey of 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol?
The InChIKey is HWZDYCRGLGDKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-5-8-16(14(3)27)19-13(2)23-21-17-9-6-7-10-18(17)24-26(21)20(19)15-11-22-25(4)12-15/h6-7,9-12,16,27H,3,5,8H2,1-2,4H3.
What are the key properties of 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol?
3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol has a molecular weight of 361.45 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methyl-4-(1-methylpyrazol-4-yl)pyrimido[1,2-b]indazol-3-yl]hex-1-en-2-ol is sourced from PubChem (CID 118369299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).