[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

C19H26N6O2 — CID 134697141

IUPAC[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccnc1C(O)C1CCN(c2cncc(C(=O)N3CCCC3)n2)CC1
InChIInChI=1S/C19H26N6O2/c1-23-11-6-21-18(23)17(26)14-4-9-24(10-5-14)16-13-20-12-15(22-16)19(27)25-7-2-3-8-25/h6,11-14,17,26H,2-5,7-10H2,1H3
InChIKeyAJNBZRPPLYXCQV-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.40
Rot. Bonds4

About [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone

[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 134697141) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID134697141
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone
SMILESCn1ccnc1C(O)C1CCN(c2cncc(C(=O)N3CCCC3)n2)CC1
InChIInChI=1S/C19H26N6O2/c1-23-11-6-21-18(23)17(26)14-4-9-24(10-5-14)16-13-20-12-15(22-16)19(27)25-7-2-3-8-25/h6,11-14,17,26H,2-5,7-10H2,1H3
InChIKeyAJNBZRPPLYXCQV-UHFFFAOYSA-N
XLogP1.40
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-chloro-3-pyridinyl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 124754310
piperidin-1-yl-(6-piperidin-1-ylpyrazin-2-yl)methanone
CID 165345728
(1-methylimidazol-2-yl)-[1-[6-(2-methylpropoxy)pyrazin-2-yl]piperidin-4-yl]methanol
CID 133395788
(1,2-dimethylpyrrol-3-yl)-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 121496323
[2-(ethylamino)pyrimidin-5-yl]-[4-[(R)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 97122502
[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[4-(3-methylimidazol-4-yl)phenyl]methanone
CID 126428369
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-pyridin-4-ylphenyl)methanone
CID 118793416
(R)-(1-methylimidazol-2-yl)-(1-propan-2-ylpiperidin-4-yl)methanol
CID 176633384
2H-benzotriazol-5-yl-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 77096803
(4-chloro-1-ethylpyrazol-5-yl)-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]methanone
CID 125156741
4-[4-[(S)-hydroxy-(1-methylimidazol-2-yl)methyl]piperidine-1-carbonyl]-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 99932538
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-[5-(2,2,2-trifluoroethoxy)-2-pyridinyl]methanone
CID 139011008

Frequently Asked Questions

What is the IUPAC name of [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone (CID 134697141) is [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is Cn1ccnc1C(O)C1CCN(c2cncc(C(=O)N3CCCC3)n2)CC1.
What is the InChIKey of [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is AJNBZRPPLYXCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-23-11-6-21-18(23)17(26)14-4-9-24(10-5-14)16-13-20-12-15(22-16)19(27)25-7-2-3-8-25/h6,11-14,17,26H,2-5,7-10H2,1H3.
What are the key properties of [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone?
[6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 370.46 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]pyrazin-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 134697141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).