7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine

C15H16ClN5O2 — CID 167110304

IUPAC7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
SMILESCOc1ncc(-c2cc3c(nn2)c(Cl)cn3C(C)C)c(OC)n1
InChIInChI=1S/C15H16ClN5O2/c1-8(2)21-7-10(16)13-12(21)5-11(19-20-13)9-6-17-15(23-4)18-14(9)22-3/h5-8H,1-4H3
InChIKeySQAWLHUVEFTYEA-UHFFFAOYSA-N
MW333.78 g/mol
LogP3.14
Rot. Bonds4

About 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine

7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine (PubChem CID 167110304) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine.

Molecular Properties

Compound Name7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
PubChem CID167110304
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine
SMILESCOc1ncc(-c2cc3c(nn2)c(Cl)cn3C(C)C)c(OC)n1
InChIInChI=1S/C15H16ClN5O2/c1-8(2)21-7-10(16)13-12(21)5-11(19-20-13)9-6-17-15(23-4)18-14(9)22-3/h5-8H,1-4H3
InChIKeySQAWLHUVEFTYEA-UHFFFAOYSA-N
XLogP3.14
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-chloro-6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-[(1S)-1-fluoroethyl]cyclopropyl]pyridazine
CID 163289431
2,4-dimethoxy-5-[6-methoxy-5-[(1S,2R)-2-propan-2-ylcyclopropyl]pyridazin-3-yl]pyrimidine
CID 167110237
6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carbonitrile
CID 163274093
2,4-dimethoxy-5-[6-methyl-5-[1-[(4-methylphenyl)methyl]pyrrol-3-yl]pyridazin-3-yl]pyrimidine
CID 166934989
5-[5-(3,3-dimethylcyclobutyl)-6-methoxypyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 149085949
2,4-dimethoxy-5-[5-methyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]pyrimidine
CID 71460489
5-[5-(1-ethylcyclopropyl)-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 175692811
methyl 6-(2,4-dimethoxypyrimidin-5-yl)-4-pyrrolidin-1-ylpyridazine-3-carboxylate
CID 163274123
4-[[3-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrazol-1-yl]methyl]benzonitrile
CID 166934693
5-[5-[(1S,2S)-2-(fluoromethyl)cyclopropyl]-6-methylpyridazin-3-yl]-2,4-dimethoxypyrimidine
CID 163289385
6-(2,4-dimethoxypyrimidin-5-yl)-4-[(1S,2S)-2-ethylcyclopropyl]pyridazin-3-amine
CID 172834022
4-[[1-[6-(2,4-dimethoxypyrimidin-5-yl)-3-methylpyridazin-4-yl]pyrrol-3-yl]methyl]benzonitrile
CID 166934665

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine?
The IUPAC name of 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine (CID 167110304) is 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine.
What is the SMILES notation for 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine?
The canonical SMILES for 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine is COc1ncc(-c2cc3c(nn2)c(Cl)cn3C(C)C)c(OC)n1.
What is the InChIKey of 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine?
The InChIKey is SQAWLHUVEFTYEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c1-8(2)21-7-10(16)13-12(21)5-11(19-20-13)9-6-17-15(23-4)18-14(9)22-3/h5-8H,1-4H3.
What are the key properties of 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine?
7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine has a molecular weight of 333.78 g/mol, XLogP of 3.14, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2,4-dimethoxypyrimidin-5-yl)-5-propan-2-ylpyrrolo[3,2-c]pyridazine is sourced from PubChem (CID 167110304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).