N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

C25H27N7O3S — CID 164738740

IUPACN-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2cnn(Cc3ccncc3)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C25H27N7O3S/c1-34-22-20-21(19(13-27-22)18-12-28-32(15-18)14-17-2-7-26-8-3-17)36-23(29-20)30-24(33)31-9-4-25(16-31)5-10-35-11-6-25/h2-3,7-8,12-13,15H,4-6,9-11,14,16H2,1H3,(H,29,30,33)
InChIKeyTWONULQXXDLIGX-UHFFFAOYSA-N
MW505.60 g/mol
LogP4.04
Rot. Bonds5

About N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide

N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (PubChem CID 164738740) has the molecular formula C25H27N7O3S and a molecular weight of 505.60 g/mol. Its IUPAC name is N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.

Molecular Properties

Compound NameN-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
PubChem CID164738740
Molecular FormulaC25H27N7O3S
Molecular Weight505.60 g/mol
Exact Mass505.19
IUPAC NameN-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
SMILESCOc1ncc(-c2cnn(Cc3ccncc3)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12
InChIInChI=1S/C25H27N7O3S/c1-34-22-20-21(19(13-27-22)18-12-28-32(15-18)14-17-2-7-26-8-3-17)36-23(29-20)30-24(33)31-9-4-25(16-31)5-10-35-11-6-25/h2-3,7-8,12-13,15H,4-6,9-11,14,16H2,1H3,(H,29,30,33)
InChIKeyTWONULQXXDLIGX-UHFFFAOYSA-N
XLogP4.04
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.60
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide with MolForge

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Related Compounds

(5R)-N-[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 158377073
N-[7-(furan-2-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738669
tert-butyl N-[3-[4-methoxy-2-(8-oxa-2-azaspiro[4.5]decane-2-carbonylamino)-[1,3]thiazolo[4,5-c]pyridin-7-yl]phenyl]carbamate
CID 154659404
N-[7-(2-amino-3-methylsulfonylphenyl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 172789316
N-[4-methoxy-7-[3-(1,3-oxazol-4-ylmethylamino)phenyl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738654
N-[7-(3-ethoxy-3-methylazetidin-1-yl)-4-methoxy-[1,3]thiazolo[4,5-c]pyridin-2-yl]-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 142524382
4-hydroxy-N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-4-methylpiperidine-1-carboxamide
CID 142524362
N-(4-methoxy-7-morpholin-4-yl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 142524461
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2-oxo-1-oxa-3,8-diazaspiro[4.5]decane-8-carboxamide
CID 159454171
(5S)-N-[4-methoxy-7-(4-methoxycyclohexen-1-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]-7-oxa-2-azaspiro[4.5]decane-2-carboxamide
CID 164738655
N-(4-methoxy-7-phenyl-[1,3]thiazolo[4,5-c]pyridin-2-yl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxamide
CID 142524386
2-[1-[[4-methoxy-7-(1-methylpyrazol-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-yl]carbamoyl]piperidin-3-yl]acetic acid
CID 146624006

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The IUPAC name of N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide (CID 164738740) is N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide.
What is the SMILES notation for N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The canonical SMILES for N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is COc1ncc(-c2cnn(Cc3ccncc3)c2)c2sc(NC(=O)N3CCC4(CCOCC4)C3)nc12.
What is the InChIKey of N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
The InChIKey is TWONULQXXDLIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O3S/c1-34-22-20-21(19(13-27-22)18-12-28-32(15-18)14-17-2-7-26-8-3-17)36-23(29-20)30-24(33)31-9-4-25(16-31)5-10-35-11-6-25/h2-3,7-8,12-13,15H,4-6,9-11,14,16H2,1H3,(H,29,30,33).
What are the key properties of N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide?
N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide has a molecular weight of 505.60 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-7-[1-(pyridin-4-ylmethyl)pyrazol-4-yl]-[1,3]thiazolo[4,5-c]pyridin-2-yl]-8-oxa-2-azaspiro[4.5]decane-2-carboxamide is sourced from PubChem (CID 164738740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).