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

C19H23FN6O2 — CID 53250674

IUPAC(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1nc(-c2cnn(C3CC3)c2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C19H23FN6O2/c1-9(2)5-13(17(21)27)24-18-15(20)12-7-22-19(28)14(12)16(25-18)10-6-23-26(8-10)11-3-4-11/h6,8-9,11,13H,3-5,7H2,1-2H3,(H2,21,27)(H,22,28)(H,24,25)/t13-/m1/s1
InChIKeyKDUTVDRIWILGKD-CYBMUJFWSA-N
MW386.43 g/mol
LogP1.97
Rot. Bonds7

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

(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (PubChem CID 53250674) has the molecular formula C19H23FN6O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
PubChem CID53250674
Molecular FormulaC19H23FN6O2
Molecular Weight386.43 g/mol
Exact Mass386.19
IUPAC Name(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide
SMILESCC(C)C[C@@H](Nc1nc(-c2cnn(C3CC3)c2)c2c(c1F)CNC2=O)C(N)=O
InChIInChI=1S/C19H23FN6O2/c1-9(2)5-13(17(21)27)24-18-15(20)12-7-22-19(28)14(12)16(25-18)10-6-23-26(8-10)11-3-4-11/h6,8-9,11,13H,3-5,7H2,1-2H3,(H2,21,27)(H,22,28)(H,24,25)/t13-/m1/s1
InChIKeyKDUTVDRIWILGKD-CYBMUJFWSA-N
XLogP1.97
TPSA114.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.43
LogP ≤ 51.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The IUPAC name of (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide (CID 53250674) is (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide.
What is the SMILES notation for (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The canonical SMILES for (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is CC(C)C[C@@H](Nc1nc(-c2cnn(C3CC3)c2)c2c(c1F)CNC2=O)C(N)=O.
What is the InChIKey of (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
The InChIKey is KDUTVDRIWILGKD-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H23FN6O2/c1-9(2)5-13(17(21)27)24-18-15(20)12-7-22-19(28)14(12)16(25-18)10-6-23-26(8-10)11-3-4-11/h6,8-9,11,13H,3-5,7H2,1-2H3,(H2,21,27)(H,22,28)(H,24,25)/t13-/m1/s1.
What are the key properties of (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide?
(2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide has a molecular weight of 386.43 g/mol, XLogP of 1.97, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(1-cyclopropylpyrazol-4-yl)-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]amino]-4-methylpentanamide is sourced from PubChem (CID 53250674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).