[6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

C26H32N6O2 — CID 138686383

IUPAC[6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(NC4COC4)CC3)nc12
InChIInChI=1S/C26H32N6O2/c1-15(2)23-24(17-9-18(11-33)26-27-14-28-32(26)10-17)31-22-8-7-21(30-25(22)23)16-3-5-19(6-4-16)29-20-12-34-13-20/h7-10,14-16,19-20,29,31,33H,3-6,11-13H2,1-2H3
InChIKeyRCFXDLXTECFJHV-UHFFFAOYSA-N
MW460.58 g/mol
LogP3.90
Rot. Bonds6

About [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol

[6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (PubChem CID 138686383) has the molecular formula C26H32N6O2 and a molecular weight of 460.58 g/mol. Its IUPAC name is [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.

Molecular Properties

Compound Name[6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
PubChem CID138686383
Molecular FormulaC26H32N6O2
Molecular Weight460.58 g/mol
Exact Mass460.26
IUPAC Name[6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol
SMILESCC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(NC4COC4)CC3)nc12
InChIInChI=1S/C26H32N6O2/c1-15(2)23-24(17-9-18(11-33)26-27-14-28-32(26)10-17)31-22-8-7-21(30-25(22)23)16-3-5-19(6-4-16)29-20-12-34-13-20/h7-10,14-16,19-20,29,31,33H,3-6,11-13H2,1-2H3
InChIKeyRCFXDLXTECFJHV-UHFFFAOYSA-N
XLogP3.90
TPSA100.36 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.58
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol with MolForge

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Frequently Asked Questions

What is the IUPAC name of [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The IUPAC name of [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol (CID 138686383) is [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol.
What is the SMILES notation for [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The canonical SMILES for [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is CC(C)c1c(-c2cc(CO)c3ncnn3c2)[nH]c2ccc(C3CCC(NC4COC4)CC3)nc12.
What is the InChIKey of [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
The InChIKey is RCFXDLXTECFJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N6O2/c1-15(2)23-24(17-9-18(11-33)26-27-14-28-32(26)10-17)31-22-8-7-21(30-25(22)23)16-3-5-19(6-4-16)29-20-12-34-13-20/h7-10,14-16,19-20,29,31,33H,3-6,11-13H2,1-2H3.
What are the key properties of [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol?
[6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol has a molecular weight of 460.58 g/mol, XLogP of 3.90, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[5-[4-(oxetan-3-ylamino)cyclohexyl]-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-2-yl]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]methanol is sourced from PubChem (CID 138686383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).