N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine

C18H26N4O — CID 99781350

IUPACN-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine
SMILESC[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H26N4O/c1-13-11-22(12-16-3-2-8-23-16)7-6-17(13)20-15-4-5-18-14(9-15)10-19-21-18/h4-5,9-10,13,16-17,20H,2-3,6-8,11-12H2,1H3,(H,19,21)/t13-,16+,17+/m1/s1
InChIKeyAJIYSRKKNKTIAZ-COXVUDFISA-N
MW314.43 g/mol
LogP2.86
Rot. Bonds4

About N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine

N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine (PubChem CID 99781350) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine.

Molecular Properties

Compound NameN-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine
PubChem CID99781350
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC NameN-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine
SMILESC[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc2[nH]ncc2c1
InChIInChI=1S/C18H26N4O/c1-13-11-22(12-16-3-2-8-23-16)7-6-17(13)20-15-4-5-18-14(9-15)10-19-21-18/h4-5,9-10,13,16-17,20H,2-3,6-8,11-12H2,1H3,(H,19,21)/t13-,16+,17+/m1/s1
InChIKeyAJIYSRKKNKTIAZ-COXVUDFISA-N
XLogP2.86
TPSA53.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine with MolForge

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Related Compounds

3-methyl-1-(oxolan-2-ylmethyl)-N-(3-pyrrolidin-1-ylphenyl)piperidin-4-amine
CID 86783017
N-[1-[(3,4-dichlorophenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 57446054
N-[(3R)-1-[(3-methylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022538
N-[(3R)-1-[(4-methoxyphenyl)methyl]pyrrolidin-3-yl]-1H-indazol-5-amine
CID 58022540
N-[1-(2-phenylethyl)piperidin-4-yl]-1H-indazol-5-amine
CID 14467953
N-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 44594373
N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
1-tert-butyl-3-[(3R,4S)-3-methyl-1-[[(2R)-oxolan-2-yl]methyl]piperidin-4-yl]urea
CID 124840714
(E)-3-(2-ethylpyrazol-3-yl)-N-[(3S,4R)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]prop-2-enamide
CID 97241045
N-[(3S)-1-[(4-ethylsulfanylphenyl)methyl]piperidin-3-yl]-1H-indazol-5-amine
CID 58022462
N-(1-prop-2-ynylpiperidin-4-yl)-1H-indazol-6-amine
CID 43790640
(3aS,7aS)-N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxamide
CID 98848765

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine?
The IUPAC name of N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine (CID 99781350) is N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine.
What is the SMILES notation for N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine?
The canonical SMILES for N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine is C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc2[nH]ncc2c1.
What is the InChIKey of N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine?
The InChIKey is AJIYSRKKNKTIAZ-COXVUDFISA-N. The full InChI is InChI=1S/C18H26N4O/c1-13-11-22(12-16-3-2-8-23-16)7-6-17(13)20-15-4-5-18-14(9-15)10-19-21-18/h4-5,9-10,13,16-17,20H,2-3,6-8,11-12H2,1H3,(H,19,21)/t13-,16+,17+/m1/s1.
What are the key properties of N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine?
N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine has a molecular weight of 314.43 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4S)-3-methyl-1-[[(2S)-oxolan-2-yl]methyl]piperidin-4-yl]-1H-indazol-5-amine is sourced from PubChem (CID 99781350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).