N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine

C28H32N6O — CID 166682746

IUPACN-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine
SMILESCN(C)Cc1nc(Nc2cnc(-c3cccc4c3ccn4C)c3c2CNC3)ccc1[C@H]1CCOC1
InChIInChI=1S/C28H32N6O/c1-33(2)16-25-19(18-10-12-35-17-18)7-8-27(32-25)31-24-15-30-28(23-14-29-13-22(23)24)21-5-4-6-26-20(21)9-11-34(26)3/h4-9,11,15,18,29H,10,12-14,16-17H2,1-3H3,(H,31,32)/t18-/m0/s1
InChIKeyLLQFZFBPSXVKNC-SFHVURJKSA-N
MW468.61 g/mol
LogP4.55
Rot. Bonds6

About N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine

N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine (PubChem CID 166682746) has the molecular formula C28H32N6O and a molecular weight of 468.61 g/mol. Its IUPAC name is N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine.

Molecular Properties

Compound NameN-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine
PubChem CID166682746
Molecular FormulaC28H32N6O
Molecular Weight468.61 g/mol
Exact Mass468.26
IUPAC NameN-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine
SMILESCN(C)Cc1nc(Nc2cnc(-c3cccc4c3ccn4C)c3c2CNC3)ccc1[C@H]1CCOC1
InChIInChI=1S/C28H32N6O/c1-33(2)16-25-19(18-10-12-35-17-18)7-8-27(32-25)31-24-15-30-28(23-14-29-13-22(23)24)21-5-4-6-26-20(21)9-11-34(26)3/h4-9,11,15,18,29H,10,12-14,16-17H2,1-3H3,(H,31,32)/t18-/m0/s1
InChIKeyLLQFZFBPSXVKNC-SFHVURJKSA-N
XLogP4.55
TPSA67.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.61
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine?
The IUPAC name of N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine (CID 166682746) is N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine.
What is the SMILES notation for N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine?
The canonical SMILES for N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine is CN(C)Cc1nc(Nc2cnc(-c3cccc4c3ccn4C)c3c2CNC3)ccc1[C@H]1CCOC1.
What is the InChIKey of N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine?
The InChIKey is LLQFZFBPSXVKNC-SFHVURJKSA-N. The full InChI is InChI=1S/C28H32N6O/c1-33(2)16-25-19(18-10-12-35-17-18)7-8-27(32-25)31-24-15-30-28(23-14-29-13-22(23)24)21-5-4-6-26-20(21)9-11-34(26)3/h4-9,11,15,18,29H,10,12-14,16-17H2,1-3H3,(H,31,32)/t18-/m0/s1.
What are the key properties of N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine?
N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine has a molecular weight of 468.61 g/mol, XLogP of 4.55, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(dimethylamino)methyl]-5-[(3R)-oxolan-3-yl]-2-pyridinyl]-4-(1-methylindol-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-7-amine is sourced from PubChem (CID 166682746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).