7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

C31H35N7O2 — CID 176836684

IUPAC7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN(C)Cc1nc(Nc2cnc(-c3cccc4nc5n(c34)CCCC5)c3c2C(=O)NC3)ccc1C1CCOCC1
InChIInChI=1S/C31H35N7O2/c1-37(2)18-25-20(19-11-14-40-15-12-19)9-10-26(35-25)34-24-17-32-29(22-16-33-31(39)28(22)24)21-6-5-7-23-30(21)38-13-4-3-8-27(38)36-23/h5-7,9-10,17,19H,3-4,8,11-16,18H2,1-2H3,(H,33,39)(H,34,35)
InChIKeyFIOKQBBINRAEFC-UHFFFAOYSA-N
MW537.67 g/mol
LogP4.77
Rot. Bonds6

About 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one

7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (PubChem CID 176836684) has the molecular formula C31H35N7O2 and a molecular weight of 537.67 g/mol. Its IUPAC name is 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.

Molecular Properties

Compound Name7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
PubChem CID176836684
Molecular FormulaC31H35N7O2
Molecular Weight537.67 g/mol
Exact Mass537.29
IUPAC Name7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
SMILESCN(C)Cc1nc(Nc2cnc(-c3cccc4nc5n(c34)CCCC5)c3c2C(=O)NC3)ccc1C1CCOCC1
InChIInChI=1S/C31H35N7O2/c1-37(2)18-25-20(19-11-14-40-15-12-19)9-10-26(35-25)34-24-17-32-29(22-16-33-31(39)28(22)24)21-6-5-7-23-30(21)38-13-4-3-8-27(38)36-23/h5-7,9-10,17,19H,3-4,8,11-16,18H2,1-2H3,(H,33,39)(H,34,35)
InChIKeyFIOKQBBINRAEFC-UHFFFAOYSA-N
XLogP4.77
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500537.67
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The IUPAC name of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one (CID 176836684) is 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one.
What is the SMILES notation for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The canonical SMILES for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is CN(C)Cc1nc(Nc2cnc(-c3cccc4nc5n(c34)CCCC5)c3c2C(=O)NC3)ccc1C1CCOCC1.
What is the InChIKey of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
The InChIKey is FIOKQBBINRAEFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O2/c1-37(2)18-25-20(19-11-14-40-15-12-19)9-10-26(35-25)34-24-17-32-29(22-16-33-31(39)28(22)24)21-6-5-7-23-30(21)38-13-4-3-8-27(38)36-23/h5-7,9-10,17,19H,3-4,8,11-16,18H2,1-2H3,(H,33,39)(H,34,35).
What are the key properties of 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one?
7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one has a molecular weight of 537.67 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[6-[(dimethylamino)methyl]-5-(oxan-4-yl)-2-pyridinyl]amino]-4-(1,2,3,4-tetrahydropyrido[1,2-a]benzimidazol-9-yl)-2,3-dihydropyrrolo[3,4-c]pyridin-1-one is sourced from PubChem (CID 176836684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).