(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

C20H22N4O2 — CID 124815778

IUPAC(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCn1cccc1C(=O)N1Cc2cccn2[C@H](COCc2ccncc2)C1
InChIInChI=1S/C20H22N4O2/c1-22-10-3-5-19(22)20(25)23-12-17-4-2-11-24(17)18(13-23)15-26-14-16-6-8-21-9-7-16/h2-11,18H,12-15H2,1H3/t18-/m0/s1
InChIKeyGMUFNOASDUOYIW-SFHVURJKSA-N
MW350.42 g/mol
LogP2.64
Rot. Bonds5

About (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone

(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (PubChem CID 124815778) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.

Molecular Properties

Compound Name(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
PubChem CID124815778
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
SMILESCn1cccc1C(=O)N1Cc2cccn2[C@H](COCc2ccncc2)C1
InChIInChI=1S/C20H22N4O2/c1-22-10-3-5-19(22)20(25)23-12-17-4-2-11-24(17)18(13-23)15-26-14-16-6-8-21-9-7-16/h2-11,18H,12-15H2,1H3/t18-/m0/s1
InChIKeyGMUFNOASDUOYIW-SFHVURJKSA-N
XLogP2.64
TPSA52.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone
CID 131654847
(1-methylpyrrol-2-yl)-[(7R)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815853
(1-methylpyrrol-2-yl)-[(7S)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 124815855
N-[[(5R)-7-(1-methylpyrrole-2-carbonyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methyl]methanesulfonamide
CID 124818038
2-ethoxy-1-[5-(pyridin-4-ylmethoxymethyl)-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155865169
[7-[2-(dimethylamino)ethoxymethyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]-(1-methylpyrrol-2-yl)methanone
CID 118746052
[(3R,3aR,7aS)-3-(pyridin-4-ylmethoxy)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 127023481
pyridin-2-yl-[4-(2-pyridin-2-yloxyethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 133144323
(1-methylpyrazol-4-yl)-[4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone
CID 131644020
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
[(7R,8aS)-7-(pyridin-2-ylmethoxy)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-(1-methylpyrrol-2-yl)methanone
CID 97386276
[4-[2-(oxan-4-ylmethoxy)ethyl]-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]-thiophen-2-ylmethanone
CID 131646922

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The IUPAC name of (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone (CID 124815778) is (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone.
What is the SMILES notation for (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The canonical SMILES for (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is Cn1cccc1C(=O)N1Cc2cccn2[C@H](COCc2ccncc2)C1.
What is the InChIKey of (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
The InChIKey is GMUFNOASDUOYIW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-22-10-3-5-19(22)20(25)23-12-17-4-2-11-24(17)18(13-23)15-26-14-16-6-8-21-9-7-16/h2-11,18H,12-15H2,1H3/t18-/m0/s1.
What are the key properties of (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone?
(1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone has a molecular weight of 350.42 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrrol-2-yl)-[(4S)-4-(pyridin-4-ylmethoxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methanone is sourced from PubChem (CID 124815778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).