3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide

C20H25N5O3 — CID 24936811

IUPAC3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCc1cn(-c2cnc(C(N)=O)c(NC3CCOC3)n2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H25N5O3/c1-11-9-25(13-6-20(2,3)7-14(26)16(11)13)15-8-22-17(18(21)27)19(24-15)23-12-4-5-28-10-12/h8-9,12H,4-7,10H2,1-3H3,(H2,21,27)(H,23,24)
InChIKeyDRCMKIYCBVWGTN-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.03
Rot. Bonds4

About 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide

3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide (PubChem CID 24936811) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide
PubChem CID24936811
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide
SMILESCc1cn(-c2cnc(C(N)=O)c(NC3CCOC3)n2)c2c1C(=O)CC(C)(C)C2
InChIInChI=1S/C20H25N5O3/c1-11-9-25(13-6-20(2,3)7-14(26)16(11)13)15-8-22-17(18(21)27)19(24-15)23-12-4-5-28-10-12/h8-9,12H,4-7,10H2,1-3H3,(H2,21,27)(H,23,24)
InChIKeyDRCMKIYCBVWGTN-UHFFFAOYSA-N
XLogP2.03
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-5-((1-amino-3-methoxypropan-2-yl)amino)-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368196
(R)-5-((1-amino-3-methoxypropan-2-yl)amino)-3-(1H-indol-2-yl)pyrazine-2-carboxamide
CID 118368211
3,6,6-trimethyl-4-oxo-N-[1-oxo-1-(pyridin-2-ylamino)hexan-2-yl]-5,7-dihydro-1H-indole-2-carboxamide
CID 171356327
US10428044, Example 127
CID 118606991
N-(3-imidazol-1-ylpropyl)-2-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]-2-oxoacetamide
CID 4081379
5-[6,6-Dimethyl-4-oxo-3-(trifluoromethyl)-5,7-dihydroindazol-1-yl]-3-(oxolan-3-ylamino)pyrazine-2-carboxamide
CID 24937686
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71143881
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71164914
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-oxo-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-7-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71499008
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(8-oxo-6,7-dihydro-5H-indolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 71499012
6-[(3-aminooxan-4-yl)amino]-7-fluoro-4-(3-oxo-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-7-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 78018753
6-[(3-Aminooxan-4-yl)amino]-7-fluoro-4-(7-oxo-5,6-dihydropyrrolizin-2-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 78033082

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide (CID 24936811) is 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide is Cc1cn(-c2cnc(C(N)=O)c(NC3CCOC3)n2)c2c1C(=O)CC(C)(C)C2.
What is the InChIKey of 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide?
The InChIKey is DRCMKIYCBVWGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-11-9-25(13-6-20(2,3)7-14(26)16(11)13)15-8-22-17(18(21)27)19(24-15)23-12-4-5-28-10-12/h8-9,12H,4-7,10H2,1-3H3,(H2,21,27)(H,23,24).
What are the key properties of 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide?
3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.03, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylamino)-5-(3,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 24936811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).