N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine

C18H23N7O — CID 167850731

IUPACN-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1cc([C@@H]2OCCC[C@H]2CNc2cncc(-c3nncn3C)c2)cn1
InChIInChI=1S/C18H23N7O/c1-24-12-21-23-18(24)14-6-16(10-19-7-14)20-8-13-4-3-5-26-17(13)15-9-22-25(2)11-15/h6-7,9-13,17,20H,3-5,8H2,1-2H3/t13-,17+/m0/s1
InChIKeyGBYBCMQOJPAAMR-SUMWQHHRSA-N
MW353.43 g/mol
LogP2.19
Rot. Bonds5

About N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine

N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (PubChem CID 167850731) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
PubChem CID167850731
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC NameN-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine
SMILESCn1cc([C@@H]2OCCC[C@H]2CNc2cncc(-c3nncn3C)c2)cn1
InChIInChI=1S/C18H23N7O/c1-24-12-21-23-18(24)14-6-16(10-19-7-14)20-8-13-4-3-5-26-17(13)15-9-22-25(2)11-15/h6-7,9-13,17,20H,3-5,8H2,1-2H3/t13-,17+/m0/s1
InChIKeyGBYBCMQOJPAAMR-SUMWQHHRSA-N
XLogP2.19
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]propan-2-amine
CID 79365651
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 154761305
N-[(3-methylimidazol-4-yl)methyl]-1-[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761416
5-methyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]-1-(2,2,2-trifluoroethyl)pyrazol-3-amine
CID 154761447
3-cyclopentyl-2-methyl-N-[5-(4-methyl-1,2,4-triazol-3-yl)-3-pyridinyl]propanamide
CID 154735989
1-cyclopropyl-N-[[(2R,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]methanamine
CID 97217161
(3R,4S)-N-[[2-(4-methylphenyl)oxan-3-yl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933997
2-methyl-1-[[2-(4-methylphenyl)oxan-3-yl]methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine
CID 111620744
1-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-N-[(1-methylpyrrol-2-yl)methyl]methanamine
CID 97075757
N,N,1-trimethyl-5-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]imidazol-2-amine
CID 154761200
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
N,N-dimethyl-2-[[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methylamino]methyl]pyridin-3-amine
CID 154761418

Frequently Asked Questions

What is the IUPAC name of N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The IUPAC name of N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine (CID 167850731) is N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine.
What is the SMILES notation for N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The canonical SMILES for N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is Cn1cc([C@@H]2OCCC[C@H]2CNc2cncc(-c3nncn3C)c2)cn1.
What is the InChIKey of N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
The InChIKey is GBYBCMQOJPAAMR-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H23N7O/c1-24-12-21-23-18(24)14-6-16(10-19-7-14)20-8-13-4-3-5-26-17(13)15-9-22-25(2)11-15/h6-7,9-13,17,20H,3-5,8H2,1-2H3/t13-,17+/m0/s1.
What are the key properties of N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine?
N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine has a molecular weight of 353.43 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,3S)-2-(1-methylpyrazol-4-yl)oxan-3-yl]methyl]-5-(4-methyl-1,2,4-triazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 167850731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).