7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C26H28N8O — CID 158012252

IUPAC7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1C=CC2=C(c3ncc(Nc4cccc(N5CC[C@H]6CNC[C@H]65)n4)c4c3CNC4=O)C=CNC21
InChIInChI=1S/C26H28N8O/c1-33-9-7-17-16(5-8-28-25(17)33)24-18-12-30-26(35)23(18)19(13-29-24)31-21-3-2-4-22(32-21)34-10-6-15-11-27-14-20(15)34/h2-5,7-9,13,15,20,25,27-28H,6,10-12,14H2,1H3,(H,30,35)(H,31,32)/t15-,20+,25?/m0/s1
InChIKeyFFANXXGCVCZQMO-BEVFQMJHSA-N
MW468.57 g/mol
LogP1.92
Rot. Bonds4

About 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 158012252) has the molecular formula C26H28N8O and a molecular weight of 468.57 g/mol. Its IUPAC name is 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID158012252
Molecular FormulaC26H28N8O
Molecular Weight468.57 g/mol
Exact Mass468.24
IUPAC Name7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN1C=CC2=C(c3ncc(Nc4cccc(N5CC[C@H]6CNC[C@H]65)n4)c4c3CNC4=O)C=CNC21
InChIInChI=1S/C26H28N8O/c1-33-9-7-17-16(5-8-28-25(17)33)24-18-12-30-26(35)23(18)19(13-29-24)31-21-3-2-4-22(32-21)34-10-6-15-11-27-14-20(15)34/h2-5,7-9,13,15,20,25,27-28H,6,10-12,14H2,1H3,(H,30,35)(H,31,32)/t15-,20+,25?/m0/s1
InChIKeyFFANXXGCVCZQMO-BEVFQMJHSA-N
XLogP1.92
TPSA97.45 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.57
LogP ≤ 51.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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Related Compounds

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CID 5308756
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6-(2-Cyclohexylaminopyridin-4-yl)-4-piperazin-1-yl-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 46901211
7-Fluoro-4-[(1-methylpyrazol-4-yl)amino]-6-(1-prop-2-enoyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl)-1,2-dihydropyrrolo[3,4-c]pyridin-3-one
CID 153449392
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3-ethyl-N-[[(1S,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
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3-propan-2-yl-N-[[(1S,5R)-3-propan-2-yl-3-azabicyclo[3.1.0]hexan-6-yl]methyl]imidazo[1,5-a]pyridine-1-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 158012252) is 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN1C=CC2=C(c3ncc(Nc4cccc(N5CC[C@H]6CNC[C@H]65)n4)c4c3CNC4=O)C=CNC21.
What is the InChIKey of 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is FFANXXGCVCZQMO-BEVFQMJHSA-N. The full InChI is InChI=1S/C26H28N8O/c1-33-9-7-17-16(5-8-28-25(17)33)24-18-12-30-26(35)23(18)19(13-29-24)31-21-3-2-4-22(32-21)34-10-6-15-11-27-14-20(15)34/h2-5,7-9,13,15,20,25,27-28H,6,10-12,14H2,1H3,(H,30,35)(H,31,32)/t15-,20+,25?/m0/s1.
What are the key properties of 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 468.57 g/mol, XLogP of 1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrol-1-yl]-2-pyridinyl]amino]-4-(1-methyl-7,7a-dihydropyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 158012252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).