methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

C17H26N4O3 — CID 146040773

IUPACmethyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(C1CCOC3(CCNCC3)C1)CC2
InChIInChI=1S/C17H26N4O3/c1-23-16(22)15-13-11-21(8-2-14(13)19-20-15)12-3-9-24-17(10-12)4-6-18-7-5-17/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyHVLDRSNMDKRQFI-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.86
Rot. Bonds2

About methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate

methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 146040773) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID146040773
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Namemethyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2c1CN(C1CCOC3(CCNCC3)C1)CC2
InChIInChI=1S/C17H26N4O3/c1-23-16(22)15-13-11-21(8-2-14(13)19-20-15)12-3-9-24-17(10-12)4-6-18-7-5-17/h12,18H,2-11H2,1H3,(H,19,20)
InChIKeyHVLDRSNMDKRQFI-UHFFFAOYSA-N
XLogP0.86
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate (CID 146040773) is methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2c1CN(C1CCOC3(CCNCC3)C1)CC2.
What is the InChIKey of methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is HVLDRSNMDKRQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-23-16(22)15-13-11-21(8-2-14(13)19-20-15)12-3-9-24-17(10-12)4-6-18-7-5-17/h12,18H,2-11H2,1H3,(H,19,20).
What are the key properties of methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 334.42 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(1-oxa-9-azaspiro[5.5]undecan-4-yl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 146040773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).