1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine

C28H37N7O — CID 138686648

IUPAC1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(NC5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H37N7O/c1-17(2)25-26(22-15-35-28(29-16-30-35)19(4)18(22)3)32-23-5-6-24(33-27(23)25)34-11-7-20(8-12-34)31-21-9-13-36-14-10-21/h5-6,15-17,20-21,31-32H,7-14H2,1-4H3
InChIKeyDBZGQUDOLHASGG-UHFFFAOYSA-N
MW487.65 g/mol
LogP4.75
Rot. Bonds5

About 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine

1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine (PubChem CID 138686648) has the molecular formula C28H37N7O and a molecular weight of 487.65 g/mol. Its IUPAC name is 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine
PubChem CID138686648
Molecular FormulaC28H37N7O
Molecular Weight487.65 g/mol
Exact Mass487.31
IUPAC Name1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine
SMILESCc1c(-c2[nH]c3ccc(N4CCC(NC5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H37N7O/c1-17(2)25-26(22-15-35-28(29-16-30-35)19(4)18(22)3)32-23-5-6-24(33-27(23)25)34-11-7-20(8-12-34)31-21-9-13-36-14-10-21/h5-6,15-17,20-21,31-32H,7-14H2,1-4H3
InChIKeyDBZGQUDOLHASGG-UHFFFAOYSA-N
XLogP4.75
TPSA83.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine?
The IUPAC name of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine (CID 138686648) is 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine?
The canonical SMILES for 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine is Cc1c(-c2[nH]c3ccc(N4CCC(NC5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine?
The InChIKey is DBZGQUDOLHASGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O/c1-17(2)25-26(22-15-35-28(29-16-30-35)19(4)18(22)3)32-23-5-6-24(33-27(23)25)34-11-7-20(8-12-34)31-21-9-13-36-14-10-21/h5-6,15-17,20-21,31-32H,7-14H2,1-4H3.
What are the key properties of 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine?
1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine has a molecular weight of 487.65 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-(oxan-4-yl)piperidin-4-amine is sourced from PubChem (CID 138686648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).