6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline

C24H21FN6O — CID 141473573

IUPAC6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
SMILESCn1cc(-c2cnc3cc(F)c(Cc4cnn5ccc(OCC6CC6)nc45)cc3c2)cn1
InChIInChI=1S/C24H21FN6O/c1-30-13-20(12-27-30)18-8-17-6-16(21(25)9-22(17)26-10-18)7-19-11-28-31-5-4-23(29-24(19)31)32-14-15-2-3-15/h4-6,8-13,15H,2-3,7,14H2,1H3
InChIKeyXQYWNGFKDLZSDL-UHFFFAOYSA-N
MW428.47 g/mol
LogP4.20
Rot. Bonds6

About 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline

6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline (PubChem CID 141473573) has the molecular formula C24H21FN6O and a molecular weight of 428.47 g/mol. Its IUPAC name is 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline.

Molecular Properties

Compound Name6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
PubChem CID141473573
Molecular FormulaC24H21FN6O
Molecular Weight428.47 g/mol
Exact Mass428.18
IUPAC Name6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline
SMILESCn1cc(-c2cnc3cc(F)c(Cc4cnn5ccc(OCC6CC6)nc45)cc3c2)cn1
InChIInChI=1S/C24H21FN6O/c1-30-13-20(12-27-30)18-8-17-6-16(21(25)9-22(17)26-10-18)7-19-11-28-31-5-4-23(29-24(19)31)32-14-15-2-3-15/h4-6,8-13,15H,2-3,7,14H2,1H3
InChIKeyXQYWNGFKDLZSDL-UHFFFAOYSA-N
XLogP4.20
TPSA70.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.47
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline with MolForge

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Related Compounds

5-(cyclopropylmethoxy)-3-iodopyrazolo[1,5-a]pyrimidine
CID 141377483
2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]-6-methylpyridazin-3-imine
CID 70665637
6-ethyl-2-[2-[7-fluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethanimidoyl]pyridazin-2-ium-3-amine
CID 143662517
1-[(2,4-difluorophenyl)methyl]-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 121339192
7-fluoro-6-(1-imidazo[4,5-b]pyrazin-3-ylethyl)-3-(1-methylpyrazol-4-yl)quinoline
CID 141370356
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(1-methylpyrazol-4-yl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456392
methyl 3-(1-methylpyrazol-4-yl)quinoline-6-carboxylate
CID 141370295
7-fluoro-3-(1-methylpyrazol-4-yl)-6-[1-[6-(4-methylsulfanylphenyl)-2H-triazolo[4,5-b]pyrazin-5-yl]ethyl]quinoline
CID 141456409
1-(4-fluoropiperidin-1-yl)-3-[3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-yl]propan-2-one
CID 147972137
N-[1-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethylidene]hydroxylamine
CID 141370272
(1S)-2-cyclopropyl-1-[3-[[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 25145474
4-(3-azabicyclo[3.1.1]heptan-6-ylmethoxy)-3-fluoro-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 163301882

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
The IUPAC name of 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline (CID 141473573) is 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline.
What is the SMILES notation for 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
The canonical SMILES for 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline is Cn1cc(-c2cnc3cc(F)c(Cc4cnn5ccc(OCC6CC6)nc45)cc3c2)cn1.
What is the InChIKey of 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
The InChIKey is XQYWNGFKDLZSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O/c1-30-13-20(12-27-30)18-8-17-6-16(21(25)9-22(17)26-10-18)7-19-11-28-31-5-4-23(29-24(19)31)32-14-15-2-3-15/h4-6,8-13,15H,2-3,7,14H2,1H3.
What are the key properties of 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline?
6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline has a molecular weight of 428.47 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(cyclopropylmethoxy)pyrazolo[1,5-a]pyrimidin-3-yl]methyl]-7-fluoro-3-(1-methylpyrazol-4-yl)quinoline is sourced from PubChem (CID 141473573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).