(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol

C15H17N5O — CID 167926150

IUPAC(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol
SMILESO[C@@H]1C[C@H](NCc2cccc3nccn23)[C@H]1n1cccn1
InChIInChI=1S/C15H17N5O/c21-13-9-12(15(13)20-7-2-5-18-20)17-10-11-3-1-4-14-16-6-8-19(11)14/h1-8,12-13,15,17,21H,9-10H2/t12-,13+,15+/m0/s1
InChIKeyMMNLTRPEPRLZRD-GZBFAFLISA-N
MW283.33 g/mol
LogP0.99
Rot. Bonds4

About (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol

(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol (PubChem CID 167926150) has the molecular formula C15H17N5O and a molecular weight of 283.33 g/mol. Its IUPAC name is (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol.

Molecular Properties

Compound Name(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol
PubChem CID167926150
Molecular FormulaC15H17N5O
Molecular Weight283.33 g/mol
Exact Mass283.14
IUPAC Name(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol
SMILESO[C@@H]1C[C@H](NCc2cccc3nccn23)[C@H]1n1cccn1
InChIInChI=1S/C15H17N5O/c21-13-9-12(15(13)20-7-2-5-18-20)17-10-11-3-1-4-14-16-6-8-19(11)14/h1-8,12-13,15,17,21H,9-10H2/t12-,13+,15+/m0/s1
InChIKeyMMNLTRPEPRLZRD-GZBFAFLISA-N
XLogP0.99
TPSA67.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-N-(imidazo[1,2-a]pyridin-5-ylmethyl)prop-2-en-1-amine
CID 115883601
2-[ethyl-[3-(imidazo[1,2-a]pyridin-5-ylmethylamino)cyclobutyl]amino]acetic acid
CID 122042751
(2S,3S)-2-(1-ethylimidazol-2-yl)-N-(imidazo[1,2-a]pyridin-5-ylmethyl)oxan-3-amine
CID 128971761
(1R,2R,3S)-3-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-pyrazol-1-ylcyclobutan-1-ol
CID 167871476
imidazo[1,2-a]pyridin-5-ylmethanethiol
CID 89093379
N-(imidazo[1,2-a]pyridin-5-ylmethyl)but-2-yn-1-amine
CID 115883630
1-benzyl-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)pyrrolidin-2-one
CID 154745464
5-(bromomethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 121232171
N-(imidazo[1,2-a]pyridin-5-ylmethyl)-2-methoxyethanamine
CID 115883524
(1S,2R,3R)-3-amino-2-pyrazol-1-ylcyclobutan-1-ol
CID 124887297
5-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 142415541
3-cyclopropyl-3-(4-hydroxyphenyl)-N-(3-hydroxy-2-pyrazol-1-ylcyclobutyl)propanamide
CID 166254544

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol?
The IUPAC name of (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol (CID 167926150) is (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol.
What is the SMILES notation for (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol?
The canonical SMILES for (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol is O[C@@H]1C[C@H](NCc2cccc3nccn23)[C@H]1n1cccn1.
What is the InChIKey of (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol?
The InChIKey is MMNLTRPEPRLZRD-GZBFAFLISA-N. The full InChI is InChI=1S/C15H17N5O/c21-13-9-12(15(13)20-7-2-5-18-20)17-10-11-3-1-4-14-16-6-8-19(11)14/h1-8,12-13,15,17,21H,9-10H2/t12-,13+,15+/m0/s1.
What are the key properties of (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol?
(1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol has a molecular weight of 283.33 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S)-3-(imidazo[1,2-a]pyridin-5-ylmethylamino)-2-pyrazol-1-ylcyclobutan-1-ol is sourced from PubChem (CID 167926150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).