6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine

C24H24FN7O — CID 171517285

IUPAC6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NC[C@@H]4CCNC4)n3)c2)n1
InChIInChI=1S/C24H24FN7O/c1-33-20-5-2-4-18(25)23(20)24-27-11-9-19(30-24)17-14-29-32(15-17)22-7-3-6-21(31-22)28-13-16-8-10-26-12-16/h2-7,9,11,14-16,26H,8,10,12-13H2,1H3,(H,28,31)/t16-/m1/s1
InChIKeyHSFUQVDLCWYPKN-MRXNPFEDSA-N
MW445.50 g/mol
LogP3.56
Rot. Bonds7

About 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine

6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine (PubChem CID 171517285) has the molecular formula C24H24FN7O and a molecular weight of 445.50 g/mol. Its IUPAC name is 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
PubChem CID171517285
Molecular FormulaC24H24FN7O
Molecular Weight445.50 g/mol
Exact Mass445.20
IUPAC Name6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine
SMILESCOc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NC[C@@H]4CCNC4)n3)c2)n1
InChIInChI=1S/C24H24FN7O/c1-33-20-5-2-4-18(25)23(20)24-27-11-9-19(30-24)17-14-29-32(15-17)22-7-3-6-21(31-22)28-13-16-8-10-26-12-16/h2-7,9,11,14-16,26H,8,10,12-13H2,1H3,(H,28,31)/t16-/m1/s1
InChIKeyHSFUQVDLCWYPKN-MRXNPFEDSA-N
XLogP3.56
TPSA89.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-5,6,7,8-tetrahydro-1,7-naphthyridine
CID 171517471
(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-(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
4-(2-fluoro-6-methoxyphenyl)-2-[6-[[(3R)-pyrrolidin-3-yl]amino]-2-pyridinyl]-3H-pyrrolo[3,4-c]pyridin-1-one
CID 166452438
2-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-6-(4-methylpiperazin-1-yl)pyridine-3-carboxamide
CID 171517278
5-(2-fluoro-6-methoxyphenyl)-N-pyrrolidin-3-yl-1H-pyrazol-3-amine
CID 114698005
N-(pyrrolidin-3-ylmethyl)-6-(trifluoromethyl)pyridin-2-amine
CID 78990195
2-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 59723478
4-[1-[6-[(1,5-dimethylpyrrolidin-2-yl)methyl-methylamino]-2-pyridinyl]pyrazol-4-yl]-2-(2-fluoro-6-methoxyphenyl)benzonitrile
CID 171517305

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine (CID 171517285) is 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine is COc1cccc(F)c1-c1nccc(-c2cnn(-c3cccc(NC[C@@H]4CCNC4)n3)c2)n1.
What is the InChIKey of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
The InChIKey is HSFUQVDLCWYPKN-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24FN7O/c1-33-20-5-2-4-18(25)23(20)24-27-11-9-19(30-24)17-14-29-32(15-17)22-7-3-6-21(31-22)28-13-16-8-10-26-12-16/h2-7,9,11,14-16,26H,8,10,12-13H2,1H3,(H,28,31)/t16-/m1/s1.
What are the key properties of 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine?
6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine has a molecular weight of 445.50 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(2-fluoro-6-methoxyphenyl)pyrimidin-4-yl]pyrazol-1-yl]-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 171517285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).