N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide

C19H22N6O3 — CID 167828593

IUPACN-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESO=C(Cc1cn2ccccc2n1)N[C@@H]1CN(C(=O)Cc2cn[nH]c2)CC[C@H]1O
InChIInChI=1S/C19H22N6O3/c26-16-4-6-25(19(28)7-13-9-20-21-10-13)12-15(16)23-18(27)8-14-11-24-5-2-1-3-17(24)22-14/h1-3,5,9-11,15-16,26H,4,6-8,12H2,(H,20,21)(H,23,27)/t15-,16-/m1/s1
InChIKeyKJURGATYPQVRFI-HZPDHXFCSA-N
MW382.42 g/mol
LogP-0.08
Rot. Bonds5

About N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide

N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide (PubChem CID 167828593) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
PubChem CID167828593
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide
SMILESO=C(Cc1cn2ccccc2n1)N[C@@H]1CN(C(=O)Cc2cn[nH]c2)CC[C@H]1O
InChIInChI=1S/C19H22N6O3/c26-16-4-6-25(19(28)7-13-9-20-21-10-13)12-15(16)23-18(27)8-14-11-24-5-2-1-3-17(24)22-14/h1-3,5,9-11,15-16,26H,4,6-8,12H2,(H,20,21)(H,23,27)/t15-,16-/m1/s1
InChIKeyKJURGATYPQVRFI-HZPDHXFCSA-N
XLogP-0.08
TPSA115.62 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chloro-4-fluorophenyl)-N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]acetamide
CID 167911024
1-(3-hydroxy-4-methylpiperidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 103900447
2-imidazo[1,2-a]pyridin-2-yl-N-(1H-pyrazol-4-yl)acetamide
CID 43429775
1-(3-hydroxyazetidin-1-yl)-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 63106394
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 119644297
3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclopentane-1-carboxylic acid
CID 66032317
2-imidazo[1,2-a]pyridin-2-yl-1-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 86924751
2-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]acetic acid
CID 43170541
2-imidazo[1,2-a]pyridin-2-yl-1-[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]ethanone
CID 146126092
2-imidazo[1,2-a]pyridin-2-yl-1-[(3R)-3-imidazol-1-ylpiperidin-1-yl]ethanone
CID 95313099
4-(dimethylamino)-N-[3-[(2-imidazo[1,2-a]pyridin-2-ylacetyl)amino]cyclobutyl]butanamide
CID 166370140
1-[(1S,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-imidazo[1,2-a]pyridin-2-ylethanone
CID 97216063

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The IUPAC name of N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide (CID 167828593) is N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide.
What is the SMILES notation for N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The canonical SMILES for N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide is O=C(Cc1cn2ccccc2n1)N[C@@H]1CN(C(=O)Cc2cn[nH]c2)CC[C@H]1O.
What is the InChIKey of N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
The InChIKey is KJURGATYPQVRFI-HZPDHXFCSA-N. The full InChI is InChI=1S/C19H22N6O3/c26-16-4-6-25(19(28)7-13-9-20-21-10-13)12-15(16)23-18(27)8-14-11-24-5-2-1-3-17(24)22-14/h1-3,5,9-11,15-16,26H,4,6-8,12H2,(H,20,21)(H,23,27)/t15-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide?
N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide has a molecular weight of 382.42 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-hydroxy-1-[2-(1H-pyrazol-4-yl)acetyl]piperidin-3-yl]-2-imidazo[1,2-a]pyridin-2-ylacetamide is sourced from PubChem (CID 167828593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).