4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid

C19H14FN5O2 — CID 141400501

IUPAC4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=1S/C19H14FN5O2/c20-14-3-1-2-12(6-14)10-25-17-5-4-15(7-13(17)8-23-25)24-18-16(19(26)27)9-21-11-22-18/h1-9,11H,10H2,(H,26,27)(H,21,22,24)
InChIKeyFTXTXXCARZQBED-UHFFFAOYSA-N
MW363.35 g/mol
LogP3.46
Rot. Bonds5

About 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid

4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid (PubChem CID 141400501) has the molecular formula C19H14FN5O2 and a molecular weight of 363.35 g/mol. Its IUPAC name is 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid
PubChem CID141400501
Molecular FormulaC19H14FN5O2
Molecular Weight363.35 g/mol
Exact Mass363.11
IUPAC Name4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1
InChIInChI=1S/C19H14FN5O2/c20-14-3-1-2-12(6-14)10-25-17-5-4-15(7-13(17)8-23-25)24-18-16(19(26)27)9-21-11-22-18/h1-9,11H,10H2,(H,26,27)(H,21,22,24)
InChIKeyFTXTXXCARZQBED-UHFFFAOYSA-N
XLogP3.46
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-Amino-6-{[1-(3-Fluorobenzyl)-1h-Indazol-5-Yl]amino}pyrimidine-5-Carbaldehyde O-(2-Methoxyethyl)oxime
CID 17747343
7-Phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 6487614
2-((2-((1H-Indazol-6-yl)amino)pyrimidin-4-yl)amino)benzoic acid
CID 23647264
2-{[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino}benzoic acid
CID 23647265
7-Cyclohexyl-6-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 15958132
4-(1-benzyl-1H-indazol-5-ylamino)-5-ethylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 16730263
4-(1-(3-fluorobenzyl)-1H-indazol-5-ylamino)-6-aminopyrimidine-5-carbaldehyde O-methyl oxime
CID 17747105
5-[(E)-ethoxyiminomethyl]-4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]pyrimidine-4,6-diamine
CID 17747139
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-2-methylpropoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747208
4-N-[1-[(3-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-propan-2-yloxyiminomethyl]pyrimidine-4,6-diamine
CID 17747281
4-N-(1-benzylindazol-5-yl)-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747282
4-N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-[(E)-methoxyiminomethyl]pyrimidine-4,6-diamine
CID 17747341

Frequently Asked Questions

What is the IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid (CID 141400501) is 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1.
What is the InChIKey of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid?
The InChIKey is FTXTXXCARZQBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN5O2/c20-14-3-1-2-12(6-14)10-25-17-5-4-15(7-13(17)8-23-25)24-18-16(19(26)27)9-21-11-22-18/h1-9,11H,10H2,(H,26,27)(H,21,22,24).
What are the key properties of 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid?
4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid has a molecular weight of 363.35 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 141400501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).