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

C19H21FN6O2 — CID 71164910

IUPAC6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCn1ccc2cc(-c3nc(N[C@@H]4CCOC[C@@H]4N)c(F)c4c3C(=O)NC4)cn21
InChIInChI=1S/C19H21FN6O2/c1-25-4-2-11-6-10(8-26(11)25)17-15-12(7-22-19(15)27)16(20)18(24-17)23-14-3-5-28-9-13(14)21/h2,4,6,8,13-14H,3,5,7,9,21H2,1H3,(H,22,27)(H,23,24)/t13-,14+/m0/s1
InChIKeyRURDXIRQZMQXHT-UONOGXRCSA-N
MW384.42 g/mol
LogP1.25
Rot. Bonds3

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

6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (PubChem CID 71164910) has the molecular formula C19H21FN6O2 and a molecular weight of 384.42 g/mol. Its IUPAC name is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one.

Molecular Properties

Compound Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
PubChem CID71164910
Molecular FormulaC19H21FN6O2
Molecular Weight384.42 g/mol
Exact Mass384.17
IUPAC Name6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
SMILESCn1ccc2cc(-c3nc(N[C@@H]4CCOC[C@@H]4N)c(F)c4c3C(=O)NC4)cn21
InChIInChI=1S/C19H21FN6O2/c1-25-4-2-11-6-10(8-26(11)25)17-15-12(7-22-19(15)27)16(20)18(24-17)23-14-3-5-28-9-13(14)21/h2,4,6,8,13-14H,3,5,7,9,21H2,1H3,(H,22,27)(H,23,24)/t13-,14+/m0/s1
InChIKeyRURDXIRQZMQXHT-UONOGXRCSA-N
XLogP1.25
TPSA98.61 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.42
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-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-(1-methylpyrrolo[1,2-b]pyrazol-5-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-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one (CID 71164910) is 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-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-(1-methylpyrrolo[1,2-b]pyrazol-5-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-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is Cn1ccc2cc(-c3nc(N[C@@H]4CCOC[C@@H]4N)c(F)c4c3C(=O)NC4)cn21.
What is the InChIKey of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
The InChIKey is RURDXIRQZMQXHT-UONOGXRCSA-N. The full InChI is InChI=1S/C19H21FN6O2/c1-25-4-2-11-6-10(8-26(11)25)17-15-12(7-22-19(15)27)16(20)18(24-17)23-14-3-5-28-9-13(14)21/h2,4,6,8,13-14H,3,5,7,9,21H2,1H3,(H,22,27)(H,23,24)/t13-,14+/m0/s1.
What are the key properties of 6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one?
6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-4-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one has a molecular weight of 384.42 g/mol, XLogP of 1.25, 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-(1-methylpyrrolo[1,2-b]pyrazol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one is sourced from PubChem (CID 71164910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).