3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine

C14H17BrN4O — CID 154761480

IUPAC3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine
SMILESBrc1cccnc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1
InChIInChI=1S/C14H17BrN4O/c15-12-4-1-5-16-14(12)17-7-10-3-2-6-20-13(10)11-8-18-19-9-11/h1,4-5,8-10,13H,2-3,6-7H2,(H,16,17)(H,18,19)/t10-,13+/m0/s1
InChIKeyHCUGECHUIDMLJK-GXFFZTMASA-N
MW337.22 g/mol
LogP3.15
Rot. Bonds4

About 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine

3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine (PubChem CID 154761480) has the molecular formula C14H17BrN4O and a molecular weight of 337.22 g/mol. Its IUPAC name is 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine
PubChem CID154761480
Molecular FormulaC14H17BrN4O
Molecular Weight337.22 g/mol
Exact Mass336.06
IUPAC Name3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine
SMILESBrc1cccnc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1
InChIInChI=1S/C14H17BrN4O/c15-12-4-1-5-16-14(12)17-7-10-3-2-6-20-13(10)11-8-18-19-9-11/h1,4-5,8-10,13H,2-3,6-7H2,(H,16,17)(H,18,19)/t10-,13+/m0/s1
InChIKeyHCUGECHUIDMLJK-GXFFZTMASA-N
XLogP3.15
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.22
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine with MolForge

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Related Compounds

2-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]pyridine-3-carbonitrile
CID 154796204
5-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-2-amine
CID 167919876
4-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methylamino]quinoline-3-carbonitrile
CID 154761477
N-[(2-methyl-3-pyridinyl)methyl]-1-[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methanamine
CID 154761583
N-[(3,4-dimethoxyphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761599
N-[(3,4-dimethylphenyl)methyl]-1-[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methanamine
CID 154761600
6-ethyl-5-fluoro-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyrimidin-4-amine
CID 167950849
3-bromo-N-[[(2S,3R)-2-(1H-pyrazol-4-yl)oxolan-3-yl]methyl]pyridine-4-carboxamide
CID 154799222
3-methoxy-4-methyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]benzamide
CID 154794885
2-cyclopentylsulfonyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]acetamide
CID 126826590
1-cyclobutyl-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyrazole-4-carboxamide
CID 136586699
3-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62254757

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine (CID 154761480) is 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine is Brc1cccnc1NC[C@@H]1CCCO[C@H]1c1cn[nH]c1.
What is the InChIKey of 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine?
The InChIKey is HCUGECHUIDMLJK-GXFFZTMASA-N. The full InChI is InChI=1S/C14H17BrN4O/c15-12-4-1-5-16-14(12)17-7-10-3-2-6-20-13(10)11-8-18-19-9-11/h1,4-5,8-10,13H,2-3,6-7H2,(H,16,17)(H,18,19)/t10-,13+/m0/s1.
What are the key properties of 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine?
3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine has a molecular weight of 337.22 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[[(2R,3S)-2-(1H-pyrazol-4-yl)oxan-3-yl]methyl]pyridin-2-amine is sourced from PubChem (CID 154761480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).