N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine

C16H19N5O — CID 167926332

IUPACN-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
SMILESc1cc2cn[nH]c2cc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1
InChIInChI=1S/C16H19N5O/c1-2-12-8-20-21-15(12)5-11(1)6-17-7-13-3-4-22-16(13)14-9-18-19-10-14/h1-2,5,8-10,13,16-17H,3-4,6-7H2,(H,18,19)(H,20,21)/t13-,16+/m1/s1
InChIKeyYSIKPZHLISJANN-CJNGLKHVSA-N
MW297.36 g/mol
LogP2.15
Rot. Bonds5

About N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine

N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine (PubChem CID 167926332) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
PubChem CID167926332
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
SMILESc1cc2cn[nH]c2cc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1
InChIInChI=1S/C16H19N5O/c1-2-12-8-20-21-15(12)5-11(1)6-17-7-13-3-4-22-16(13)14-9-18-19-10-14/h1-2,5,8-10,13,16-17H,3-4,6-7H2,(H,18,19)(H,20,21)/t13-,16+/m1/s1
InChIKeyYSIKPZHLISJANN-CJNGLKHVSA-N
XLogP2.15
TPSA78.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761600
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
N-(1H-indazol-6-ylmethyl)-1-(2-methylcyclopropyl)methanamine;hydrochloride
CID 115607475
N-[(4-chloro-2-methylphenyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761589
4-[(1H-indazol-6-ylmethylamino)methyl]pyrrolidin-3-ol
CID 120961737
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761583
N-[(2-fluoro-3-methylphenyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 167790675
2-cyclopropyl-N-(1H-indazol-6-ylmethyl)ethanamine
CID 115656450
N-[[1-(2-methylphenyl)triazol-4-yl]methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761595
N-(1H-indazol-6-ylmethyl)-1-[(2R,3S)-1-methyl-2-pyridin-3-ylpyrrolidin-3-yl]methanamine
CID 128992092
5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 167919876
6-methyl-2-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methylamino]pyrimidine-4-carbonitrile
CID 154761469

Frequently Asked Questions

What is the IUPAC name of N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
The IUPAC name of N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine (CID 167926332) is N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
The canonical SMILES for N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine is c1cc2cn[nH]c2cc1CNC[C@H]1CCO[C@@H]1c1cn[nH]c1.
What is the InChIKey of N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
The InChIKey is YSIKPZHLISJANN-CJNGLKHVSA-N. The full InChI is InChI=1S/C16H19N5O/c1-2-12-8-20-21-15(12)5-11(1)6-17-7-13-3-4-22-16(13)14-9-18-19-10-14/h1-2,5,8-10,13,16-17H,3-4,6-7H2,(H,18,19)(H,20,21)/t13-,16+/m1/s1.
What are the key properties of N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine?
N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine has a molecular weight of 297.36 g/mol, XLogP of 2.15, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indazol-6-ylmethyl)-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 167926332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).