4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

C29H34N8O — CID 138686959

IUPAC4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)Cc5ncccn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H34N8O/c1-18(2)26-27(20-14-24(38-4)29-32-17-33-37(29)15-20)35-23-11-10-22(34-28(23)26)19-6-8-21(9-7-19)36(3)16-25-30-12-5-13-31-25/h5,10-15,17-19,21,35H,6-9,16H2,1-4H3
InChIKeyVIXKEFOYFIMBJF-UHFFFAOYSA-N
MW510.65 g/mol
LogP5.35
Rot. Bonds7

About 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine

4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 138686959) has the molecular formula C29H34N8O and a molecular weight of 510.65 g/mol. Its IUPAC name is 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
PubChem CID138686959
Molecular FormulaC29H34N8O
Molecular Weight510.65 g/mol
Exact Mass510.29
IUPAC Name4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(N(C)Cc5ncccn5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C29H34N8O/c1-18(2)26-27(20-14-24(38-4)29-32-17-33-37(29)15-20)35-23-11-10-22(34-28(23)26)19-6-8-21(9-7-19)36(3)16-25-30-12-5-13-31-25/h5,10-15,17-19,21,35H,6-9,16H2,1-4H3
InChIKeyVIXKEFOYFIMBJF-UHFFFAOYSA-N
XLogP5.35
TPSA97.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.65
LogP ≤ 55.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine (CID 138686959) is 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is COc1cc(-c2[nH]c3ccc(C4CCC(N(C)Cc5ncccn5)CC4)nc3c2C(C)C)cn2ncnc12.
What is the InChIKey of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is VIXKEFOYFIMBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N8O/c1-18(2)26-27(20-14-24(38-4)29-32-17-33-37(29)15-20)35-23-11-10-22(34-28(23)26)19-6-8-21(9-7-19)36(3)16-25-30-12-5-13-31-25/h5,10-15,17-19,21,35H,6-9,16H2,1-4H3.
What are the key properties of 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine?
4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 510.65 g/mol, XLogP of 5.35, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(8-methoxy-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-N-(pyrimidin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 138686959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).