(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine

C18H23N5O — CID 129007116

IUPAC(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2NCc2cnn3ccccc23)cn1
InChIInChI=1S/C18H23N5O/c1-2-22-13-15(12-20-22)18-16(6-5-9-24-18)19-10-14-11-21-23-8-4-3-7-17(14)23/h3-4,7-8,11-13,16,18-19H,2,5-6,9-10H2,1H3/t16-,18+/m0/s1
InChIKeyYWFKHZWZJATHLK-FUHWJXTLSA-N
MW325.42 g/mol
LogP2.56
Rot. Bonds5

About (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine

(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine (PubChem CID 129007116) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine.

Molecular Properties

Compound Name(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine
PubChem CID129007116
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC Name(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine
SMILESCCn1cc([C@H]2OCCC[C@@H]2NCc2cnn3ccccc23)cn1
InChIInChI=1S/C18H23N5O/c1-2-22-13-15(12-20-22)18-16(6-5-9-24-18)19-10-14-11-21-23-8-4-3-7-17(14)23/h3-4,7-8,11-13,16,18-19H,2,5-6,9-10H2,1H3/t16-,18+/m0/s1
InChIKeyYWFKHZWZJATHLK-FUHWJXTLSA-N
XLogP2.56
TPSA56.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-N-[(1-ethylpyrazol-4-yl)methyl]-2-(4-methylphenyl)oxan-3-amine
CID 129370432
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[4-[(R)-methylsulfinyl]phenyl]methyl]oxan-3-amine
CID 129342159
2-methyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclopropan-1-amine
CID 63315311
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 129005578
(2R,3S)-N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-ylmethyl)-2-(1-ethylpyrazol-4-yl)oxan-3-amine
CID 128992535
(2R,3S)-2-(1-methylpyrazol-4-yl)-N-[(1-methylpyrazol-4-yl)methyl]oxan-3-amine
CID 129007130
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[[1-(pyridin-3-ylmethyl)triazol-4-yl]methyl]oxan-3-amine
CID 129003334
1,3-dimethyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)piperidin-4-amine
CID 115615373
2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 75445170
(2S,3S)-2-(3,4-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]oxolan-3-amine
CID 97336721
4-propyl-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)cyclohexan-1-amine
CID 63315088
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
CID 122164121

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine?
The IUPAC name of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine (CID 129007116) is (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine.
What is the SMILES notation for (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine?
The canonical SMILES for (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine is CCn1cc([C@H]2OCCC[C@@H]2NCc2cnn3ccccc23)cn1.
What is the InChIKey of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine?
The InChIKey is YWFKHZWZJATHLK-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H23N5O/c1-2-22-13-15(12-20-22)18-16(6-5-9-24-18)19-10-14-11-21-23-8-4-3-7-17(14)23/h3-4,7-8,11-13,16,18-19H,2,5-6,9-10H2,1H3/t16-,18+/m0/s1.
What are the key properties of (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine?
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine has a molecular weight of 325.42 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(1-ethylpyrazol-4-yl)-N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)oxan-3-amine is sourced from PubChem (CID 129007116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).