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

C17H21FN6O2 — CID 53250520

IUPAC(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1nc(-c2cnn(C)c2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C17H21FN6O2/c1-8(2)4-11(15(19)25)22-16-13(18)10-6-20-17(26)12(10)14(23-16)9-5-21-24(3)7-9/h5,7-8,11H,4,6H2,1-3H3,(H2,19,25)(H,20,26)(H,22,23)/t11-/m1/s1
InChIKeyBAWQWVQBXIDYII-LLVKDONJSA-N
MW360.39 g/mol
LogP1.18
Rot. Bonds6

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

(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (PubChem CID 53250520) has the molecular formula C17H21FN6O2 and a molecular weight of 360.39 g/mol. Its IUPAC name is (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
PubChem CID53250520
Molecular FormulaC17H21FN6O2
Molecular Weight360.39 g/mol
Exact Mass360.17
IUPAC Name(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1nc(-c2cnn(C)c2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C17H21FN6O2/c1-8(2)4-11(15(19)25)22-16-13(18)10-6-20-17(26)12(10)14(23-16)9-5-21-24(3)7-9/h5,7-8,11H,4,6H2,1-3H3,(H2,19,25)(H,20,26)(H,22,23)/t11-/m1/s1
InChIKeyBAWQWVQBXIDYII-LLVKDONJSA-N
XLogP1.18
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 51.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (CID 53250520) is (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-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-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is CC(C)C[C@@H](Nc1nc(-c2cnn(C)c2)c2c(c1F)CNC2=O)C(N)=O.
What is the InChIKey of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The InChIKey is BAWQWVQBXIDYII-LLVKDONJSA-N. The full InChI is InChI=1S/C17H21FN6O2/c1-8(2)4-11(15(19)25)22-16-13(18)10-6-20-17(26)12(10)14(23-16)9-5-21-24(3)7-9/h5,7-8,11H,4,6H2,1-3H3,(H2,19,25)(H,20,26)(H,22,23)/t11-/m1/s1.
What are the key properties of (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
(2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide has a molecular weight of 360.39 g/mol, XLogP of 1.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[7-fluoro-4-(1-methylpyrazol-4-yl)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 53250520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).