6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

C16H18ClN5O3 — CID 166429571

IUPAC6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cc(Cl)nc2[nH]ncc12
InChIInChI=1S/C16H18ClN5O3/c17-12-5-10(11-8-20-22-13(11)21-12)14(23)19-7-9-6-16(15(24)25-9)1-3-18-4-2-16/h5,8-9,18H,1-4,6-7H2,(H,19,23)(H,20,21,22)
InChIKeySDKXTTWZHCHPLY-UHFFFAOYSA-N
MW363.81 g/mol
LogP1.03
Rot. Bonds3

About 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide

6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 166429571) has the molecular formula C16H18ClN5O3 and a molecular weight of 363.81 g/mol. Its IUPAC name is 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID166429571
Molecular FormulaC16H18ClN5O3
Molecular Weight363.81 g/mol
Exact Mass363.11
IUPAC Name6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESO=C(NCC1CC2(CCNCC2)C(=O)O1)c1cc(Cl)nc2[nH]ncc12
InChIInChI=1S/C16H18ClN5O3/c17-12-5-10(11-8-20-22-13(11)21-12)14(23)19-7-9-6-16(15(24)25-9)1-3-18-4-2-16/h5,8-9,18H,1-4,6-7H2,(H,19,23)(H,20,21,22)
InChIKeySDKXTTWZHCHPLY-UHFFFAOYSA-N
XLogP1.03
TPSA109.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.81
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
CID 166409383
5-bromo-4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 167840056
6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide
CID 167808743
6-bromo-4-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 166415854
5-bromo-3-methyl-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-2-carboxamide
CID 166261774
5-iodo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-indazole-3-carboxamide
CID 166358741
7-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]quinoline-4-carboxamide;2,2,2-trifluoroacetic acid
CID 166261782
2-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazine-3-carboxamide
CID 166358858
4-bromo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]thieno[2,3-c]pyridine-2-carboxamide
CID 166358651
6-bromo-4-oxo-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-quinoline-3-carboxamide
CID 166358857
6-(methylamino)-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 167808742
4-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 166261765

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide (CID 166429571) is 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is O=C(NCC1CC2(CCNCC2)C(=O)O1)c1cc(Cl)nc2[nH]ncc12.
What is the InChIKey of 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is SDKXTTWZHCHPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5O3/c17-12-5-10(11-8-20-22-13(11)21-12)14(23)19-7-9-6-16(15(24)25-9)1-3-18-4-2-16/h5,8-9,18H,1-4,6-7H2,(H,19,23)(H,20,21,22).
What are the key properties of 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide?
6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 363.81 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-oxo-2-oxa-8-azaspiro[4.5]decan-3-yl)methyl]-1H-pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 166429571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).