(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone

C20H29N5O — CID 50983759

IUPAC(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
SMILESCCC1c2cccn2CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2
InChIInChI=1S/C20H29N5O/c1-4-18-19-7-5-8-22(19)11-12-24(18)20(26)17-13-16-14-23(15(2)3)9-6-10-25(16)21-17/h5,7-8,13,15,18H,4,6,9-12,14H2,1-3H3
InChIKeyYLPCHAJOBHWOAE-UHFFFAOYSA-N
MW355.49 g/mol
LogP2.91
Rot. Bonds3

About (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone

(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (PubChem CID 50983759) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone.

Molecular Properties

Compound Name(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
PubChem CID50983759
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
SMILESCCC1c2cccn2CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2
InChIInChI=1S/C20H29N5O/c1-4-18-19-7-5-8-22(19)11-12-24(18)20(26)17-13-16-14-23(15(2)3)9-6-10-25(16)21-17/h5,7-8,13,15,18H,4,6,9-12,14H2,1-3H3
InChIKeyYLPCHAJOBHWOAE-UHFFFAOYSA-N
XLogP2.91
TPSA46.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone with MolForge

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Related Compounds

(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-[5-[(2-propan-2-ylimidazol-1-yl)methyl]-1H-pyrazol-3-yl]methanone
CID 45253062
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)-1,4-diazepan-5-one
CID 56718033
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(2-thiophen-2-yl-1,3-thiazol-4-yl)methanone
CID 96578460
(6-chloroimidazo[1,2-a]pyrimidin-2-yl)-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 70727929
1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)ethenamine
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[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-[3-(2-hydroxyphenyl)-1H-pyrazol-5-yl]methanone
CID 136890699
1-ethyl-2-propan-2-yl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 59988898
N-[(2S)-1-(3,5-dimethylpyrazol-1-yl)propan-2-yl]-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 95122494
[(1R)-1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(3-pyridin-2-yl-1H-pyrazol-5-yl)methanone
CID 51495389
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-N-methyl-5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 50959976
[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 84599756
N-hydroxy-N-methyl-5-propan-2-yl-7-[1-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carbonyl)pyrrolidin-3-yl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-2-carboxamide
CID 169145943

Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The IUPAC name of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone (CID 50983759) is (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone.
What is the SMILES notation for (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The canonical SMILES for (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone is CCC1c2cccn2CCN1C(=O)c1cc2n(n1)CCCN(C(C)C)C2.
What is the InChIKey of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
The InChIKey is YLPCHAJOBHWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-4-18-19-7-5-8-22(19)11-12-24(18)20(26)17-13-16-14-23(15(2)3)9-6-10-25(16)21-17/h5,7-8,13,15,18H,4,6,9-12,14H2,1-3H3.
What are the key properties of (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone?
(1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone has a molecular weight of 355.49 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-(5-propan-2-yl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone is sourced from PubChem (CID 50983759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).