5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide

C25H32N8O3 — CID 166452701

IUPAC5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCC(N3CCN(C4COC4)C3=O)C2)nc1Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C25H32N8O3/c26-23(34)22-24(29-18-4-3-17-11-27-6-5-16(17)10-18)30-21(12-28-22)31-7-1-2-19(13-31)32-8-9-33(25(32)35)20-14-36-15-20/h3-4,10,12,19-20,27H,1-2,5-9,11,13-15H2,(H2,26,34)(H,29,30)
InChIKeyLGDOYRYNAZRECZ-UHFFFAOYSA-N
MW492.58 g/mol
LogP1.07
Rot. Bonds6

About 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide

5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide (PubChem CID 166452701) has the molecular formula C25H32N8O3 and a molecular weight of 492.58 g/mol. Its IUPAC name is 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide
PubChem CID166452701
Molecular FormulaC25H32N8O3
Molecular Weight492.58 g/mol
Exact Mass492.26
IUPAC Name5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide
SMILESNC(=O)c1ncc(N2CCCC(N3CCN(C4COC4)C3=O)C2)nc1Nc1ccc2c(c1)CCNC2
InChIInChI=1S/C25H32N8O3/c26-23(34)22-24(29-18-4-3-17-11-27-6-5-16(17)10-18)30-21(12-28-22)31-7-1-2-19(13-31)32-8-9-33(25(32)35)20-14-36-15-20/h3-4,10,12,19-20,27H,1-2,5-9,11,13-15H2,(H2,26,34)(H,29,30)
InChIKeyLGDOYRYNAZRECZ-UHFFFAOYSA-N
XLogP1.07
TPSA128.95 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.58
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide with MolForge

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Related Compounds

3-[(2-tert-butyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 176741920
3-[4-(4-methylpiperidin-4-yl)anilino]-5-[3-(3-oxo-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c]imidazol-2-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 166452795
5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-(4-piperidin-4-ylanilino)pyrazine-2-carboxamide
CID 118114824
4-[[3-carbamoyl-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]benzoic acid
CID 146558558
3-[4-(1-cyclobutylpiperidin-4-yl)anilino]-5-[(3R)-3-(3-cyclopropyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 118114448
3-[4-(3,9-diazaspiro[5.5]undecan-3-yl)anilino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146484926
3-[[2-[1-[2-(2-hydroxy-6-oxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146558517
5-[3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]-3-[4-[1-(trifluoromethyl)cyclopropyl]anilino]pyrazine-2-carboxamide
CID 118115523
3-[(1-methylpyrazol-4-yl)amino]-5-[(3R)-3-(6-oxo-5-oxa-2,7-diazaspiro[3.4]octan-7-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 164762653
3-[[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]-3,4-dihydro-1H-isoquinolin-6-yl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 146559013
3-[[2-[1-[[(7S)-3-(2,6-dioxopiperidin-3-yl)-7,8-dihydro-6H-cyclopenta[g][1,2]benzoxazol-7-yl]methyl]azetidin-3-yl]-1,3-dihydroisoindol-5-yl]amino]-5-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazine-2-carboxamide
CID 176741744
tert-butyl 4-[5-[[3-carbamoyl-6-[(3R)-3-(3-methyl-2-oxoimidazolidin-1-yl)piperidin-1-yl]pyrazin-2-yl]amino]-2-pyridinyl]piperazine-1-carboxylate
CID 146484957

Frequently Asked Questions

What is the IUPAC name of 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide?
The IUPAC name of 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide (CID 166452701) is 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide?
The canonical SMILES for 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide is NC(=O)c1ncc(N2CCCC(N3CCN(C4COC4)C3=O)C2)nc1Nc1ccc2c(c1)CCNC2.
What is the InChIKey of 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide?
The InChIKey is LGDOYRYNAZRECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N8O3/c26-23(34)22-24(29-18-4-3-17-11-27-6-5-16(17)10-18)30-21(12-28-22)31-7-1-2-19(13-31)32-8-9-33(25(32)35)20-14-36-15-20/h3-4,10,12,19-20,27H,1-2,5-9,11,13-15H2,(H2,26,34)(H,29,30).
What are the key properties of 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide?
5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide has a molecular weight of 492.58 g/mol, XLogP of 1.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[3-(oxetan-3-yl)-2-oxoimidazolidin-1-yl]piperidin-1-yl]-3-(1,2,3,4-tetrahydroisoquinolin-6-ylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 166452701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).