5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one

C20H26ClN5O — CID 46881790

IUPAC5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one
SMILESCc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N1CCCC1
InChIInChI=1S/C20H26ClN5O/c1-12-10-16(13(2)22-19(12)25-8-4-5-9-25)23-18-20(27)26(11-17(21)24-18)14(3)15-6-7-15/h10-11,14-15H,4-9H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyCWOHROWFYXLUGZ-CQSZACIVSA-N
MW387.92 g/mol
LogP4.22
Rot. Bonds5

About 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one

5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one (PubChem CID 46881790) has the molecular formula C20H26ClN5O and a molecular weight of 387.92 g/mol. Its IUPAC name is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one.

Molecular Properties

Compound Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one
PubChem CID46881790
Molecular FormulaC20H26ClN5O
Molecular Weight387.92 g/mol
Exact Mass387.18
IUPAC Name5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one
SMILESCc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N1CCCC1
InChIInChI=1S/C20H26ClN5O/c1-12-10-16(13(2)22-19(12)25-8-4-5-9-25)23-18-20(27)26(11-17(21)24-18)14(3)15-6-7-15/h10-11,14-15H,4-9H2,1-3H3,(H,23,24)/t14-/m1/s1
InChIKeyCWOHROWFYXLUGZ-CQSZACIVSA-N
XLogP4.22
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.92
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one with MolForge

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Launch Full Analysis

Related Compounds

N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((R)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11796404
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(6-(dimethylamino)-2,5-dimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881748
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(5-chloro-6-methyl-2-oxo-3-phenethylamino-2H-pyrazin-1-yl)-acetamide
CID 10599262
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-[6-methyl-3-((S)-1-methyl-2-phenyl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 10835917
2-(3-Amino-6-methyl-2-oxo-2H-pyrazin-1-yl)-N-(6-amino-2-methyl-pyridin-3-ylmethyl)-acetamide
CID 44289619
5-methyl-6-(2-oxo-1H-pyridin-4-yl)-1,3-dihydroimidazo[4,5-b]pyridin-2-one
CID 10243444
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2,4,6-trimethylpyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881745
(R)-5-chloro-1-(1-cyclopropylethyl)-3-(2-methyl-6-(trifluoromethyl)pyridin-3-ylamino)pyrazin-2(1H)-one
CID 46881791
1-[2-[3-(Pyridin-3-ylmethylamino)pyrazin-2-yl]pyrrolidin-1-yl]ethanone
CID 110257285
1-[2-[6-[(2-Fluorophenyl)methylamino]-2-pyridinyl]pyrrolidin-1-yl]ethanone
CID 110257686
(2S)-N-(3-benzyl-2-oxo-1H-imidazo[4,5-b]pyridin-5-yl)-2-(methylamino)propanamide
CID 71003452
N-[6-(3-benzyl-2-oxoimidazolidin-1-yl)pyridin-3-yl]acetamide
CID 53187566

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one?
The IUPAC name of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one (CID 46881790) is 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one.
What is the SMILES notation for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one?
The canonical SMILES for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one is Cc1cc(Nc2nc(Cl)cn([C@H](C)C3CC3)c2=O)c(C)nc1N1CCCC1.
What is the InChIKey of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one?
The InChIKey is CWOHROWFYXLUGZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26ClN5O/c1-12-10-16(13(2)22-19(12)25-8-4-5-9-25)23-18-20(27)26(11-17(21)24-18)14(3)15-6-7-15/h10-11,14-15H,4-9H2,1-3H3,(H,23,24)/t14-/m1/s1.
What are the key properties of 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one?
5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one has a molecular weight of 387.92 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[(1R)-1-cyclopropylethyl]-3-[(2,5-dimethyl-6-pyrrolidin-1-yl-3-pyridinyl)amino]pyrazin-2-one is sourced from PubChem (CID 46881790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).