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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine

C27H31N7O2 — CID 138687010

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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(NCc5cnco5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H31N7O2/c1-16(2)24-25(18-10-23(35-3)27-30-14-31-34(27)13-18)33-22-9-8-21(32-26(22)24)17-4-6-19(7-5-17)29-12-20-11-28-15-36-20/h8-11,13-17,19,29,33H,4-7,12H2,1-3H3
InChIKeyFTGFTRPMHNMLPU-UHFFFAOYSA-N
MW485.59 g/mol
LogP5.21
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-(1,3-oxazol-5-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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine (PubChem CID 138687010) has the molecular formula C27H31N7O2 and a molecular weight of 485.59 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-(1,3-oxazol-5-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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
PubChem CID138687010
Molecular FormulaC27H31N7O2
Molecular Weight485.59 g/mol
Exact Mass485.25
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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine
SMILESCOc1cc(-c2[nH]c3ccc(C4CCC(NCc5cnco5)CC4)nc3c2C(C)C)cn2ncnc12
InChIInChI=1S/C27H31N7O2/c1-16(2)24-25(18-10-23(35-3)27-30-14-31-34(27)13-18)33-22-9-8-21(32-26(22)24)17-4-6-19(7-5-17)29-12-20-11-28-15-36-20/h8-11,13-17,19,29,33H,4-7,12H2,1-3H3
InChIKeyFTGFTRPMHNMLPU-UHFFFAOYSA-N
XLogP5.21
TPSA106.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.59
LogP ≤ 55.21
H-Bond Donors ≤ 52
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-(1,3-oxazol-5-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-(1,3-oxazol-5-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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine (CID 138687010) 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-(1,3-oxazol-5-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-(1,3-oxazol-5-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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine is COc1cc(-c2[nH]c3ccc(C4CCC(NCc5cnco5)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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine?
The InChIKey is FTGFTRPMHNMLPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N7O2/c1-16(2)24-25(18-10-23(35-3)27-30-14-31-34(27)13-18)33-22-9-8-21(32-26(22)24)17-4-6-19(7-5-17)29-12-20-11-28-15-36-20/h8-11,13-17,19,29,33H,4-7,12H2,1-3H3.
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-(1,3-oxazol-5-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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine has a molecular weight of 485.59 g/mol, XLogP of 5.21, 7 rotatable bonds, 2 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-(1,3-oxazol-5-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 138687010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).