(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine

C25H24FN5O — CID 25369521

IUPAC(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(-c2ncc(CN[C@H]3CCCc4c3cnn4-c3ccccc3F)cn2)cc1
InChIInChI=1S/C25H24FN5O/c1-32-19-11-9-18(10-12-19)25-28-14-17(15-29-25)13-27-22-6-4-8-23-20(22)16-30-31(23)24-7-3-2-5-21(24)26/h2-3,5,7,9-12,14-16,22,27H,4,6,8,13H2,1H3/t22-/m0/s1
InChIKeyDXFRZCJPZMJSTF-QFIPXVFZSA-N
MW429.50 g/mol
LogP4.64
Rot. Bonds6

About (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine

(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 25369521) has the molecular formula C25H24FN5O and a molecular weight of 429.50 g/mol. Its IUPAC name is (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound Name(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID25369521
Molecular FormulaC25H24FN5O
Molecular Weight429.50 g/mol
Exact Mass429.20
IUPAC Name(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
SMILESCOc1ccc(-c2ncc(CN[C@H]3CCCc4c3cnn4-c3ccccc3F)cn2)cc1
InChIInChI=1S/C25H24FN5O/c1-32-19-11-9-18(10-12-19)25-28-14-17(15-29-25)13-27-22-6-4-8-23-20(22)16-30-31(23)24-7-3-2-5-21(24)26/h2-3,5,7,9-12,14-16,22,27H,4,6,8,13H2,1H3/t22-/m0/s1
InChIKeyDXFRZCJPZMJSTF-QFIPXVFZSA-N
XLogP4.64
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]phenoxy]ethanol
CID 45170420
1-(3,4-dimethylphenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 45230968
(4R)-1-(2-fluorophenyl)-N-(isoquinolin-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 42525614
(4R)-N-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-yl-4,5,6,7-tetrahydroindazol-4-amine
CID 26408861
(4R)-1-ethyl-N-[(4-methoxyphenyl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
CID 95778666
(4R)-N-[[4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 38060530
(R)-N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methylpropane-2-sulfinamide
CID 129104774
3-(3,4-dimethoxyphenyl)-N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]propanamide
CID 26326251
1-(4-methoxyphenyl)-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 65356554
4-[[[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]amino]methyl]-2,6-dimethoxyphenol
CID 45180985
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]imidazo[1,5-a]pyridine-3-carboxamide
CID 129104749
N-[(4S)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)acetamide
CID 42384413

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine (CID 25369521) is (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine is COc1ccc(-c2ncc(CN[C@H]3CCCc4c3cnn4-c3ccccc3F)cn2)cc1.
What is the InChIKey of (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is DXFRZCJPZMJSTF-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H24FN5O/c1-32-19-11-9-18(10-12-19)25-28-14-17(15-29-25)13-27-22-6-4-8-23-20(22)16-30-31(23)24-7-3-2-5-21(24)26/h2-3,5,7,9-12,14-16,22,27H,4,6,8,13H2,1H3/t22-/m0/s1.
What are the key properties of (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine?
(4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 429.50 g/mol, XLogP of 4.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-fluorophenyl)-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 25369521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).