2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine

C22H19FN6O — CID 171517471

IUPAC2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3ccc4c(n3)CNCC4)c2)n1
InChIInChI=1S/C22H19FN6O/c1-30-19-4-2-3-16(23)21(19)22-25-10-8-17(28-22)15-11-26-29(13-15)20-6-5-14-7-9-24-12-18(14)27-20/h2-6,8,10-11,13,24H,7,9,12H2,1H3
InChIKeyAQNDNQANSYKFHK-UHFFFAOYSA-N
MW402.43 g/mol
LogP3.18
Rot. Bonds4

About 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine

2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine (PubChem CID 171517471) has the molecular formula C22H19FN6O and a molecular weight of 402.43 g/mol. Its IUPAC name is 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine.

Molecular Properties

Compound Name2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
PubChem CID171517471
Molecular FormulaC22H19FN6O
Molecular Weight402.43 g/mol
Exact Mass402.16
IUPAC Name2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3ccc4c(n3)CNCC4)c2)n1
InChIInChI=1S/C22H19FN6O/c1-30-19-4-2-3-16(23)21(19)22-25-10-8-17(28-22)15-11-26-29(13-15)20-6-5-14-7-9-24-12-18(14)27-20/h2-6,8,10-11,13,24H,7,9,12H2,1H3
InChIKeyAQNDNQANSYKFHK-UHFFFAOYSA-N
XLogP3.18
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 171517285
(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
CID 171517345
(3R,5S)-5-(aminomethyl)-1-[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]pyrrolidin-3-ol
CID 171517422
[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-iodophosphane
CID 171517474
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517360
2-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517462
2-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723478
2-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]pyridine
CID 167984117
4-[1-[6-[(1,5-dimethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]pyrazol-4-yl]-2-(2-fluoro-6-methoxyphenyl)benzonitrile
CID 171517305
4-[1-(2-methoxyphenyl)pyrazol-4-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 46992065
5-ethyl-3-(2-fluoro-6-methoxyphenyl)-1H-1,2,4-triazole
CID 65432102

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The IUPAC name of 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine (CID 171517471) is 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine.
What is the SMILES notation for 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The canonical SMILES for 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine is COc1cccc(F)c1-c1nccc(-c2cnn(-c3ccc4c(n3)CNCC4)c2)n1.
What is the InChIKey of 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
The InChIKey is AQNDNQANSYKFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O/c1-30-19-4-2-3-16(23)21(19)22-25-10-8-17(28-22)15-11-26-29(13-15)20-6-5-14-7-9-24-12-18(14)27-20/h2-6,8,10-11,13,24H,7,9,12H2,1H3.
What are the key properties of 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine?
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine has a molecular weight of 402.43 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine is sourced from PubChem (CID 171517471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).