1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol

C21H25N7O2 — CID 168773619

IUPAC1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncnc5c4)c[nH]c3n2)CC1
InChIInChI=1S/C21H25N7O2/c1-3-21(29)7-4-14(5-8-21)25-20-26-18-17(19(27-20)30-2)15(11-22-18)13-6-9-28-16(10-13)23-12-24-28/h6,9-12,14,29H,3-5,7-8H2,1-2H3,(H2,22,25,26,27)
InChIKeyBUQWBNLMSZLPJL-UHFFFAOYSA-N
MW407.48 g/mol
LogP3.17
Rot. Bonds5

About 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol

1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 168773619) has the molecular formula C21H25N7O2 and a molecular weight of 407.48 g/mol. Its IUPAC name is 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID168773619
Molecular FormulaC21H25N7O2
Molecular Weight407.48 g/mol
Exact Mass407.21
IUPAC Name1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncnc5c4)c[nH]c3n2)CC1
InChIInChI=1S/C21H25N7O2/c1-3-21(29)7-4-14(5-8-21)25-20-26-18-17(19(27-20)30-2)15(11-22-18)13-6-9-28-16(10-13)23-12-24-28/h6,9-12,14,29H,3-5,7-8H2,1-2H3,(H2,22,25,26,27)
InChIKeyBUQWBNLMSZLPJL-UHFFFAOYSA-N
XLogP3.17
TPSA113.25 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.48
LogP ≤ 53.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 168773619) is 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol is CCC1(O)CCC(Nc2nc(OC)c3c(-c4ccn5ncnc5c4)c[nH]c3n2)CC1.
What is the InChIKey of 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is BUQWBNLMSZLPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O2/c1-3-21(29)7-4-14(5-8-21)25-20-26-18-17(19(27-20)30-2)15(11-22-18)13-6-9-28-16(10-13)23-12-24-28/h6,9-12,14,29H,3-5,7-8H2,1-2H3,(H2,22,25,26,27).
What are the key properties of 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol?
1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 407.48 g/mol, XLogP of 3.17, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[[4-methoxy-5-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 168773619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).