(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine

C24H23FN6O2 — CID 171517345

IUPAC(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(OC[C@H](N)C4CC4)n3)c2)n1
InChIInChI=1S/C24H23FN6O2/c1-32-20-5-2-4-17(25)23(20)24-27-11-10-19(29-24)16-12-28-31(13-16)21-6-3-7-22(30-21)33-14-18(26)15-8-9-15/h2-7,10-13,15,18H,8-9,14,26H2,1H3/t18-/m0/s1
InChIKeyPHODMACITWWBBN-SFHVURJKSA-N
MW446.49 g/mol
LogP3.66
Rot. Bonds8

About (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine

(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine (PubChem CID 171517345) has the molecular formula C24H23FN6O2 and a molecular weight of 446.49 g/mol. Its IUPAC name is (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine.

Molecular Properties

Compound Name(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
PubChem CID171517345
Molecular FormulaC24H23FN6O2
Molecular Weight446.49 g/mol
Exact Mass446.19
IUPAC Name(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(OC[C@H](N)C4CC4)n3)c2)n1
InChIInChI=1S/C24H23FN6O2/c1-32-20-5-2-4-17(25)23(20)24-27-11-10-19(29-24)16-12-28-31(13-16)21-6-3-7-22(30-21)33-14-18(26)15-8-9-15/h2-7,10-13,15,18H,8-9,14,26H2,1H3/t18-/m0/s1
InChIKeyPHODMACITWWBBN-SFHVURJKSA-N
XLogP3.66
TPSA100.97 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.49
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(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
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
CID 171517285
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 171517471
2-(2-methoxy-6-methylphenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517360
[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-(2,6-difluorophenyl)-4-[1-[6-(4-methylpiperazin-1-yl)-2-pyridinyl]pyrazol-4-yl]pyrimidine
CID 171517462
2-methoxy-6-(4-pyridin-2-ylpyrazol-1-yl)pyridine
CID 10286006
4-[1-[6-[(1,5-dimethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]pyrazol-4-yl]-2-(2-fluoro-6-methoxyphenyl)benzonitrile
CID 171517305
1-cyclopropyl-2-(2,3-difluorophenoxy)ethanamine
CID 63905866
2-[4-(2-fluoro-3-methoxyphenyl)pyrazol-1-yl]pyridine
CID 167984117
2-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723478

Frequently Asked Questions

What is the IUPAC name of (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine?
The IUPAC name of (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine (CID 171517345) is (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine.
What is the SMILES notation for (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine?
The canonical SMILES for (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine is COc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(OC[C@H](N)C4CC4)n3)c2)n1.
What is the InChIKey of (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine?
The InChIKey is PHODMACITWWBBN-SFHVURJKSA-N. The full InChI is InChI=1S/C24H23FN6O2/c1-32-20-5-2-4-17(25)23(20)24-27-11-10-19(29-24)16-12-28-31(13-16)21-6-3-7-22(30-21)33-14-18(26)15-8-9-15/h2-7,10-13,15,18H,8-9,14,26H2,1H3/t18-/m0/s1.
What are the key properties of (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine?
(1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine has a molecular weight of 446.49 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclopropyl-2-[[6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-2-pyridinyl]oxy]ethanamine is sourced from PubChem (CID 171517345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).