(2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide

C18H21FN4O2S — CID 58317624

IUPAC(2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCc1ccc(-c2nc(N[C@H](CC(C)C)C(N)=O)c(F)c3c2C(=O)NC3)s1
InChIInChI=1S/C18H21FN4O2S/c1-8(2)6-11(16(20)24)22-17-14(19)10-7-21-18(25)13(10)15(23-17)12-5-4-9(3)26-12/h4-5,8,11H,6-7H2,1-3H3,(H2,20,24)(H,21,25)(H,22,23)/t11-/m1/s1
InChIKeyNHPYANOEODOMDL-LLVKDONJSA-N
MW376.46 g/mol
LogP2.81
Rot. Bonds6

About (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide

(2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (PubChem CID 58317624) has the molecular formula C18H21FN4O2S and a molecular weight of 376.46 g/mol. Its IUPAC name is (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
PubChem CID58317624
Molecular FormulaC18H21FN4O2S
Molecular Weight376.46 g/mol
Exact Mass376.14
IUPAC Name(2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCc1ccc(-c2nc(N[C@H](CC(C)C)C(N)=O)c(F)c3c2C(=O)NC3)s1
InChIInChI=1S/C18H21FN4O2S/c1-8(2)6-11(16(20)24)22-17-14(19)10-7-21-18(25)13(10)15(23-17)12-5-4-9(3)26-12/h4-5,8,11H,6-7H2,1-3H3,(H2,20,24)(H,21,25)(H,22,23)/t11-/m1/s1
InChIKeyNHPYANOEODOMDL-LLVKDONJSA-N
XLogP2.81
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (CID 58317624) is (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is Cc1ccc(-c2nc(N[C@H](CC(C)C)C(N)=O)c(F)c3c2C(=O)NC3)s1.
What is the InChIKey of (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The InChIKey is NHPYANOEODOMDL-LLVKDONJSA-N. The full InChI is InChI=1S/C18H21FN4O2S/c1-8(2)6-11(16(20)24)22-17-14(19)10-7-21-18(25)13(10)15(23-17)12-5-4-9(3)26-12/h4-5,8,11H,6-7H2,1-3H3,(H2,20,24)(H,21,25)(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
(2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide has a molecular weight of 376.46 g/mol, XLogP of 2.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-fluoro-4-(5-methylthiophen-2-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 58317624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).