(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

C21H18F3N5O2 — CID 142336682

IUPAC(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2)c2n1[C@@H](N)CN(c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C21H18F3N5O2/c1-12-9-16(19(30)27-14-3-2-8-26-10-14)18-20(31)28(11-17(25)29(12)18)15-6-4-13(5-7-15)21(22,23)24/h2-10,17H,11,25H2,1H3,(H,27,30)/t17-/m1/s1
InChIKeyODRKVNQIGVEBCW-QGZVFWFLSA-N
MW429.40 g/mol
LogP3.58
Rot. Bonds3

About (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide

(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (PubChem CID 142336682) has the molecular formula C21H18F3N5O2 and a molecular weight of 429.40 g/mol. Its IUPAC name is (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.

Molecular Properties

Compound Name(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
PubChem CID142336682
Molecular FormulaC21H18F3N5O2
Molecular Weight429.40 g/mol
Exact Mass429.14
IUPAC Name(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
SMILESCc1cc(C(=O)Nc2cccnc2)c2n1[C@@H](N)CN(c1ccc(C(F)(F)F)cc1)C2=O
InChIInChI=1S/C21H18F3N5O2/c1-12-9-16(19(30)27-14-3-2-8-26-10-14)18-20(31)28(11-17(25)29(12)18)15-6-4-13(5-7-15)21(22,23)24/h2-10,17H,11,25H2,1H3,(H,27,30)/t17-/m1/s1
InChIKeyODRKVNQIGVEBCW-QGZVFWFLSA-N
XLogP3.58
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.40
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-fluoro-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 134463396
7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694179
N-[(4S)-6-fluoro-4-methyl-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-8-yl]-4-methylpyridine-3-carboxamide
CID 142336895
(7S)-5-[3-chloro-4-(trifluoromethyl)phenyl]-7-methyl-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane;sulfane
CID 158547915
N-[(7R)-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazin-3-yl]pyridine-3-carboxamide
CID 118693814
tert-butyl N-[5-[[(4R)-4-amino-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carbonyl]amino]-2-pyridinyl]carbamate
CID 142336716
(4S)-2-[4-(difluoromethyl)phenyl]-4-methyl-1-oxo-N-pyridin-3-yl-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 142336809
N-[5-(hydroxymethyl)-3-pyridinyl]-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 140801525
(7S)-N-[5-(hydroxymethyl)-3-pyridinyl]-7-methyl-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide
CID 118694222
(7S)-7-methyl-N-(4-methyl-3-pyridinyl)-4-oxo-5-[4-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;sulfane
CID 159328172
(4R)-4-amino-N-[4-(methylsulfonimidoyl)phenyl]-1-oxo-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide
CID 162607852
5-[3-chloro-4-(trifluoromethyl)phenyl]-7-(methoxymethyl)-4-oxo-N-pyridin-3-yl-6,7-dihydropyrazolo[1,5-a]pyrazine-3-carboxamide;methane
CID 159244144

Frequently Asked Questions

What is the IUPAC name of (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The IUPAC name of (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide (CID 142336682) is (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide.
What is the SMILES notation for (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The canonical SMILES for (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is Cc1cc(C(=O)Nc2cccnc2)c2n1[C@@H](N)CN(c1ccc(C(F)(F)F)cc1)C2=O.
What is the InChIKey of (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
The InChIKey is ODRKVNQIGVEBCW-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H18F3N5O2/c1-12-9-16(19(30)27-14-3-2-8-26-10-14)18-20(31)28(11-17(25)29(12)18)15-6-4-13(5-7-15)21(22,23)24/h2-10,17H,11,25H2,1H3,(H,27,30)/t17-/m1/s1.
What are the key properties of (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide?
(4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide has a molecular weight of 429.40 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-amino-6-methyl-1-oxo-N-pyridin-3-yl-2-[4-(trifluoromethyl)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazine-8-carboxamide is sourced from PubChem (CID 142336682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).