N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine

C25H34N8 — CID 175853636

IUPACN-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine
SMILESCNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3[C@H](C)CCC4)n1)C2
InChIInChI=1S/C25H34N8/c1-16(2)31(5)24-12-18-14-32(15-19(18)21(28-24)13-26-4)22-10-7-9-20(27-22)25-30-29-23-11-6-8-17(3)33(23)25/h7,9-10,12,16-17,26H,6,8,11,13-15H2,1-5H3/t17-/m1/s1
InChIKeyFYQOQQQOTINMKE-QGZVFWFLSA-N
MW446.60 g/mol
LogP3.72
Rot. Bonds6

About N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine

N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine (PubChem CID 175853636) has the molecular formula C25H34N8 and a molecular weight of 446.60 g/mol. Its IUPAC name is N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine.

Molecular Properties

Compound NameN-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine
PubChem CID175853636
Molecular FormulaC25H34N8
Molecular Weight446.60 g/mol
Exact Mass446.29
IUPAC NameN-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine
SMILESCNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3[C@H](C)CCC4)n1)C2
InChIInChI=1S/C25H34N8/c1-16(2)31(5)24-12-18-14-32(15-19(18)21(28-24)13-26-4)22-10-7-9-20(27-22)25-30-29-23-11-6-8-17(3)33(23)25/h7,9-10,12,16-17,26H,6,8,11,13-15H2,1-5H3/t17-/m1/s1
InChIKeyFYQOQQQOTINMKE-QGZVFWFLSA-N
XLogP3.72
TPSA75.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.60
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
The IUPAC name of N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine (CID 175853636) is N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine.
What is the SMILES notation for N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
The canonical SMILES for N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine is CNCc1nc(N(C)C(C)C)cc2c1CN(c1cccc(-c3nnc4n3[C@H](C)CCC4)n1)C2.
What is the InChIKey of N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
The InChIKey is FYQOQQQOTINMKE-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H34N8/c1-16(2)31(5)24-12-18-14-32(15-19(18)21(28-24)13-26-4)22-10-7-9-20(27-22)25-30-29-23-11-6-8-17(3)33(23)25/h7,9-10,12,16-17,26H,6,8,11,13-15H2,1-5H3/t17-/m1/s1.
What are the key properties of N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine?
N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine has a molecular weight of 446.60 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylaminomethyl)-2-[6-[(5R)-5-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl]-2-pyridinyl]-N-propan-2-yl-1,3-dihydropyrrolo[3,4-c]pyridin-6-amine is sourced from PubChem (CID 175853636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).