N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine

C18H16FN5O — CID 177378133

IUPACN-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine
SMILESCOc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C18H16FN5O/c1-25-17-5-2-13(19)6-11(17)8-20-14-3-4-16-15(7-14)18(24-23-16)12-9-21-22-10-12/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H,23,24)
InChIKeySXHPVBAEKUPBTH-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.71
Rot. Bonds5

About N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine

N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine (PubChem CID 177378133) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine
PubChem CID177378133
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine
SMILESCOc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cn[nH]c3)c2c1
InChIInChI=1S/C18H16FN5O/c1-25-17-5-2-13(19)6-11(17)8-20-14-3-4-16-15(7-14)18(24-23-16)12-9-21-22-10-12/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H,23,24)
InChIKeySXHPVBAEKUPBTH-UHFFFAOYSA-N
XLogP3.71
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-1H-indazol-5-yl-2-(2-isopropylphenoxy)acetamide
CID 6469899
1-(1,5-dimethyl-3-pyrazolyl)-N-[[5-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 16191714
N-(1-(4-methoxybenzyl)piperidin-3-yl)-1H-indazol-5-amine
CID 21098519
1-(1H-indazol-5-yl)-3-[2-(4-methoxyphenyl)ethyl]urea
CID 70691934
N-[(3-fluoro-5-methoxyphenyl)methyl]-3-[(E)-2-pyridin-2-ylethenyl]-2H-indazol-5-amine
CID 156734116
1-(4-methoxyphenyl)-N-[(4-propan-2-ylphenyl)methyl]indazol-5-amine
CID 71520878
N-(3,4-dihydro-2H-chromen-4-yl)-3-pyridin-4-yl-1H-indazol-5-amine
CID 168291167
N-(1H-indazol-5-yl)-2-(2-methoxyphenyl)acetamide
CID 6468780
N-{[3-(3-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-(1H-pyrazol-1-yl)-2-butanamine
CID 16189971
N-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-2-(1H-pyrazol-1-yl)ethanamine
CID 16191304
N-(1H-indazol-5-yl)-2-(2-methylphenoxy)acetamide
CID 17148690
6-Methoxy-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135474212

Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine?
The IUPAC name of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine (CID 177378133) is N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine.
What is the SMILES notation for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine?
The canonical SMILES for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine is COc1ccc(F)cc1CNc1ccc2[nH]nc(-c3cn[nH]c3)c2c1.
What is the InChIKey of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine?
The InChIKey is SXHPVBAEKUPBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-25-17-5-2-13(19)6-11(17)8-20-14-3-4-16-15(7-14)18(24-23-16)12-9-21-22-10-12/h2-7,9-10,20H,8H2,1H3,(H,21,22)(H,23,24).
What are the key properties of N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine?
N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine has a molecular weight of 337.36 g/mol, XLogP of 3.71, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-2-methoxyphenyl)methyl]-3-(1H-pyrazol-4-yl)-1H-indazol-5-amine is sourced from PubChem (CID 177378133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).