(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

C25H24N8O2 — CID 121374840

IUPAC(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
SMILESCn1nc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cc1C(=O)N1Cc2ccncc2C1
InChIInChI=1S/C25H24N8O2/c1-31-20(23(34)32-13-16-4-7-27-12-17(16)14-32)11-22(30-31)29-21-10-19(5-8-28-21)33-9-6-25(15-26,24(33)35)18-2-3-18/h4-5,7-8,10-12,18H,2-3,6,9,13-14H2,1H3,(H,28,29,30)/t25-/m1/s1
InChIKeyAOTLKWGOFPJGNT-RUZDIDTESA-N
MW468.52 g/mol
LogP2.77
Rot. Bonds5

About (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile

(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (PubChem CID 121374840) has the molecular formula C25H24N8O2 and a molecular weight of 468.52 g/mol. Its IUPAC name is (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
PubChem CID121374840
Molecular FormulaC25H24N8O2
Molecular Weight468.52 g/mol
Exact Mass468.20
IUPAC Name(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile
SMILESCn1nc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cc1C(=O)N1Cc2ccncc2C1
InChIInChI=1S/C25H24N8O2/c1-31-20(23(34)32-13-16-4-7-27-12-17(16)14-32)11-22(30-31)29-21-10-19(5-8-28-21)33-9-6-25(15-26,24(33)35)18-2-3-18/h4-5,7-8,10-12,18H,2-3,6,9,13-14H2,1H3,(H,28,29,30)/t25-/m1/s1
InChIKeyAOTLKWGOFPJGNT-RUZDIDTESA-N
XLogP2.77
TPSA120.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.52
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile (CID 121374840) is (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is Cn1nc(Nc2cc(N3CC[C@@](C#N)(C4CC4)C3=O)ccn2)cc1C(=O)N1Cc2ccncc2C1.
What is the InChIKey of (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is AOTLKWGOFPJGNT-RUZDIDTESA-N. The full InChI is InChI=1S/C25H24N8O2/c1-31-20(23(34)32-13-16-4-7-27-12-17(16)14-32)11-22(30-31)29-21-10-19(5-8-28-21)33-9-6-25(15-26,24(33)35)18-2-3-18/h4-5,7-8,10-12,18H,2-3,6,9,13-14H2,1H3,(H,28,29,30)/t25-/m1/s1.
What are the key properties of (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile?
(3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 468.52 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-cyclopropyl-1-[2-[[5-(1,3-dihydropyrrolo[3,4-c]pyridine-2-carbonyl)-1-methylpyrazol-3-yl]amino]-4-pyridinyl]-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 121374840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).