(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

C19H25FN4O2 — CID 131683724

IUPAC(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCN1[C@@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@@H]2C[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C19H25FN4O2/c1-23-16(19(26)22-8-12-2-3-12)6-13-10-24(11-17(13)23)18(25)7-15-5-4-14(20)9-21-15/h4-5,9,12-13,16-17H,2-3,6-8,10-11H2,1H3,(H,22,26)/t13-,16-,17+/m0/s1
InChIKeyZTKCEWAETPHSHZ-RRQGHBQHSA-N
MW360.43 g/mol
LogP0.82
Rot. Bonds5

About (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide

(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (PubChem CID 131683724) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
PubChem CID131683724
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
SMILESCN1[C@@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@@H]2C[C@H]1C(=O)NCC1CC1
InChIInChI=1S/C19H25FN4O2/c1-23-16(19(26)22-8-12-2-3-12)6-13-10-24(11-17(13)23)18(25)7-15-5-4-14(20)9-21-15/h4-5,9,12-13,16-17H,2-3,6-8,10-11H2,1H3,(H,22,26)/t13-,16-,17+/m0/s1
InChIKeyZTKCEWAETPHSHZ-RRQGHBQHSA-N
XLogP0.82
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-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

(2R,3aR,6aR)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-2-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97458034
(2R,3aS,6aS)-N-(cyclopropylmethyl)-1-methyl-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97460252
(2S,3aR,6aR)-N-(cyclopropylmethyl)-5-(6-methoxypyrimidin-4-yl)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 98777397
(2R,3aS,6aS)-N-(cyclopropylmethyl)-1-methyl-5-[(5-methylfuran-2-yl)methyl]-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 127023734
N-[[6-[2-(5-fluoro-2-pyridinyl)acetyl]-6-azaspiro[2.5]octan-2-yl]methyl]cyclobutanecarboxamide
CID 131682104
(4aS,9aS)-2-(cyclopropylmethyl)-7-[2-(5-fluoro-2-pyridinyl)acetyl]-4-(methoxymethyl)-3,4,4a,5,6,8,9,9a-octahydropyrido[3,4-d]azepin-1-one
CID 131682125
1-[7-(ethoxymethyl)-2-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131682911
2-(5-amino-2-pyridinyl)-1-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)ethanone
CID 107339559
2-(5-fluoro-2-pyridinyl)-1-[1-(2-methoxyethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 131682049
1-[(2R,3aS,7aS)-2-(1,2-oxazolidine-2-carbonyl)-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridin-6-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 131683056
4-(5-fluoro-2-pyridinyl)-3-oxobutanoic acid
CID 175834373
(2R,3aR,6aR)-1-acetyl-N-(cyclopropylmethyl)-5-(pyridin-4-ylmethyl)-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide
CID 97458131

Frequently Asked Questions

What is the IUPAC name of (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The IUPAC name of (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide (CID 131683724) is (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide.
What is the SMILES notation for (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The canonical SMILES for (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is CN1[C@@H]2CN(C(=O)Cc3ccc(F)cn3)C[C@@H]2C[C@H]1C(=O)NCC1CC1.
What is the InChIKey of (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
The InChIKey is ZTKCEWAETPHSHZ-RRQGHBQHSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-23-16(19(26)22-8-12-2-3-12)6-13-10-24(11-17(13)23)18(25)7-15-5-4-14(20)9-21-15/h4-5,9,12-13,16-17H,2-3,6-8,10-11H2,1H3,(H,22,26)/t13-,16-,17+/m0/s1.
What are the key properties of (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide?
(2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide has a molecular weight of 360.43 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3aS,6aS)-N-(cyclopropylmethyl)-5-[2-(5-fluoro-2-pyridinyl)acetyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-2-carboxamide is sourced from PubChem (CID 131683724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).