[3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

C18H28N4O2 — CID 31074526

IUPAC[3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCc2[nH]nc(CC3CCCCC3)c2C1
InChIInChI=1S/C18H28N4O2/c23-18(21-8-10-24-11-9-21)22-7-6-16-15(13-22)17(20-19-16)12-14-4-2-1-3-5-14/h14H,1-13H2,(H,19,20)
InChIKeyIMBRSRUNIIVQCY-UHFFFAOYSA-N
MW332.45 g/mol
LogP2.34
Rot. Bonds2

About [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone

[3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (PubChem CID 31074526) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
PubChem CID31074526
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC Name[3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CCc2[nH]nc(CC3CCCCC3)c2C1
InChIInChI=1S/C18H28N4O2/c23-18(21-8-10-24-11-9-21)22-7-6-16-15(13-22)17(20-19-16)12-14-4-2-1-3-5-14/h14H,1-13H2,(H,19,20)
InChIKeyIMBRSRUNIIVQCY-UHFFFAOYSA-N
XLogP2.34
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone (CID 31074526) is [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CCc2[nH]nc(CC3CCCCC3)c2C1.
What is the InChIKey of [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
The InChIKey is IMBRSRUNIIVQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2/c23-18(21-8-10-24-11-9-21)22-7-6-16-15(13-22)17(20-19-16)12-14-4-2-1-3-5-14/h14H,1-13H2,(H,19,20).
What are the key properties of [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone?
[3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone has a molecular weight of 332.45 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(cyclohexylmethyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 31074526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).