6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

C20H21FN6O2 — CID 71143898

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCc1ccn2ncc(-c3nc(N[C@@H]4CCOC[C@@H]4N)c(F)c4c3C(=O)NC4)c2c1
InChIInChI=1S/C20H21FN6O2/c1-10-2-4-27-15(6-10)11(8-24-27)18-16-12(7-23-20(16)28)17(21)19(26-18)25-14-3-5-29-9-13(14)22/h2,4,6,8,13-14H,3,5,7,9,22H2,1H3,(H,23,28)(H,25,26)/t13-,14+/m0/s1
InChIKeyITVMKIZKFVWLQA-UONOGXRCSA-N
MW396.43 g/mol
LogP1.62
Rot. Bonds3

About 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 71143898) has the molecular formula C20H21FN6O2 and a molecular weight of 396.43 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID71143898
Molecular FormulaC20H21FN6O2
Molecular Weight396.43 g/mol
Exact Mass396.17
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCc1ccn2ncc(-c3nc(N[C@@H]4CCOC[C@@H]4N)c(F)c4c3C(=O)NC4)c2c1
InChIInChI=1S/C20H21FN6O2/c1-10-2-4-27-15(6-10)11(8-24-27)18-16-12(7-23-20(16)28)17(21)19(26-18)25-14-3-5-29-9-13(14)22/h2,4,6,8,13-14H,3,5,7,9,22H2,1H3,(H,23,28)(H,25,26)/t13-,14+/m0/s1
InChIKeyITVMKIZKFVWLQA-UONOGXRCSA-N
XLogP1.62
TPSA106.57 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.43
LogP ≤ 51.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The IUPAC name of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 71143898) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.
What is the SMILES notation for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The canonical SMILES for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is Cc1ccn2ncc(-c3nc(N[C@@H]4CCOC[C@@H]4N)c(F)c4c3C(=O)NC4)c2c1.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is ITVMKIZKFVWLQA-UONOGXRCSA-N. The full InChI is InChI=1S/C20H21FN6O2/c1-10-2-4-27-15(6-10)11(8-24-27)18-16-12(7-23-20(16)28)17(21)19(26-18)25-14-3-5-29-9-13(14)22/h2,4,6,8,13-14H,3,5,7,9,22H2,1H3,(H,23,28)(H,25,26)/t13-,14+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 396.43 g/mol, XLogP of 1.62, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(5-methylpyrazolo[1,5-a]pyridin-3-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 71143898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).