2-[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]-4-(oxan-4-yl)morpholine

C27H34N6O2 — CID 138686653

IUPAC2-[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]-4-(oxan-4-yl)morpholine
SMILESCc1c(-c2[nH]c3ccc(C4CN(C5CCOCC5)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H34N6O2/c1-16(2)24-25(20-13-33-27(28-15-29-33)18(4)17(20)3)31-22-6-5-21(30-26(22)24)23-14-32(9-12-35-23)19-7-10-34-11-8-19/h5-6,13,15-16,19,23,31H,7-12,14H2,1-4H3
InChIKeyXNKMBFQYEWHUHD-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.57
Rot. Bonds4

About 2-[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]-4-(oxan-4-yl)morpholine

2-[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]-4-(oxan-4-yl)morpholine (PubChem CID 138686653) has the molecular formula C27H34N6O2 and a molecular weight of 474.61 g/mol. Its IUPAC name is 2-[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]-4-(oxan-4-yl)morpholine.

Molecular Properties

Compound Name2-[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]-4-(oxan-4-yl)morpholine
PubChem CID138686653
Molecular FormulaC27H34N6O2
Molecular Weight474.61 g/mol
Exact Mass474.27
IUPAC Name2-[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]-4-(oxan-4-yl)morpholine
SMILESCc1c(-c2[nH]c3ccc(C4CN(C5CCOCC5)CCO4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C27H34N6O2/c1-16(2)24-25(20-13-33-27(28-15-29-33)18(4)17(20)3)31-22-6-5-21(30-26(22)24)23-14-32(9-12-35-23)19-7-10-34-11-8-19/h5-6,13,15-16,19,23,31H,7-12,14H2,1-4H3
InChIKeyXNKMBFQYEWHUHD-UHFFFAOYSA-N
XLogP4.57
TPSA80.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[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]-4-(oxan-4-yl)morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[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]-4-(oxan-4-yl)morpholine?
The IUPAC name of 2-[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]-4-(oxan-4-yl)morpholine (CID 138686653) is 2-[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]-4-(oxan-4-yl)morpholine.
What is the SMILES notation for 2-[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]-4-(oxan-4-yl)morpholine?
The canonical SMILES for 2-[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]-4-(oxan-4-yl)morpholine is Cc1c(-c2[nH]c3ccc(C4CN(C5CCOCC5)CCO4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 2-[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]-4-(oxan-4-yl)morpholine?
The InChIKey is XNKMBFQYEWHUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O2/c1-16(2)24-25(20-13-33-27(28-15-29-33)18(4)17(20)3)31-22-6-5-21(30-26(22)24)23-14-32(9-12-35-23)19-7-10-34-11-8-19/h5-6,13,15-16,19,23,31H,7-12,14H2,1-4H3.
What are the key properties of 2-[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]-4-(oxan-4-yl)morpholine?
2-[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]-4-(oxan-4-yl)morpholine has a molecular weight of 474.61 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]-4-(oxan-4-yl)morpholine is sourced from PubChem (CID 138686653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).