2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile

C24H16FN7 — CID 86732462

IUPAC2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H16FN7/c25-20-7-3-1-5-16(20)15-32-21-8-4-2-6-19(21)22(31-32)24-28-14-17(13-26)23(30-24)29-18-9-11-27-12-10-18/h1-12,14H,15H2,(H,27,28,29,30)
InChIKeyNFHVGWMVOALSQI-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.69
Rot. Bonds5

About 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile

2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile (PubChem CID 86732462) has the molecular formula C24H16FN7 and a molecular weight of 421.44 g/mol. Its IUPAC name is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
PubChem CID86732462
Molecular FormulaC24H16FN7
Molecular Weight421.44 g/mol
Exact Mass421.15
IUPAC Name2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile
SMILESN#Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1
InChIInChI=1S/C24H16FN7/c25-20-7-3-1-5-16(20)15-32-21-8-4-2-6-19(21)22(31-32)24-28-14-17(13-26)23(30-24)29-18-9-11-27-12-10-18/h1-12,14H,15H2,(H,27,28,29,30)
InChIKeyNFHVGWMVOALSQI-UHFFFAOYSA-N
XLogP4.69
TPSA92.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxymethanesulfonamide
CID 71554316
(2S)-3-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidin-5-yl]oxypropane-1,2-diol
CID 89487399
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-N-pyridin-4-yl-5-[2-(2H-tetrazol-5-yl)ethoxy]pyrimidin-4-amine
CID 89495310
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxy-N-pyridin-2-ylpyrimidin-4-amine
CID 130405195
4-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carboxylic acid
CID 150397331
1-[3,5-difluoro-4-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]ethanone
CID 86732438
N-[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-6-(pyridin-4-ylamino)pyrimidin-4-yl]-2-methoxyacetamide
CID 86274064
3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]-1,2,4-thiadiazol-5-amine
CID 86269149
4-[[2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-methoxypyrimidin-4-yl]amino]pyridine-3-carbonitrile
CID 89487388
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]indazol-3-yl]-5-(2-methylsulfonylethoxy)-N-pyridin-4-ylpyrimidin-4-amine
CID 71554403
5-methoxy-2-[1-(3-methylbut-2-enyl)indazol-3-yl]-N-pyridin-4-ylpyrimidin-4-amine
CID 130430073
[2,4-dichloro-3-[[3-[5-methoxy-4-(pyridin-4-ylamino)pyrimidin-2-yl]indazol-1-yl]methyl]phenyl]methanol;hydrochloride
CID 89488624

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
The IUPAC name of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile (CID 86732462) is 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile.
What is the SMILES notation for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
The canonical SMILES for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile is N#Cc1cnc(-c2nn(Cc3ccccc3F)c3ccccc23)nc1Nc1ccncc1.
What is the InChIKey of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
The InChIKey is NFHVGWMVOALSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN7/c25-20-7-3-1-5-16(20)15-32-21-8-4-2-6-19(21)22(31-32)24-28-14-17(13-26)23(30-24)29-18-9-11-27-12-10-18/h1-12,14H,15H2,(H,27,28,29,30).
What are the key properties of 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile?
2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile has a molecular weight of 421.44 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylamino)pyrimidine-5-carbonitrile is sourced from PubChem (CID 86732462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).