N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide

C30H33N7OS — CID 59332079

IUPACN-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC2(CCNC2)C1)c1csc(N2CCc3[nH]nc(-c4ccccc4)c3C2)n1
InChIInChI=1S/C30H33N7OS/c38-28(32-24-9-4-5-10-26(24)37-15-6-12-30(20-37)13-14-31-19-30)25-18-39-29(33-25)36-16-11-23-22(17-36)27(35-34-23)21-7-2-1-3-8-21/h1-5,7-10,18,31H,6,11-17,19-20H2,(H,32,38)(H,34,35)
InChIKeyAZTKVCYJLMHFEY-UHFFFAOYSA-N
MW539.71 g/mol
LogP4.93
Rot. Bonds5

About N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide

N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 59332079) has the molecular formula C30H33N7OS and a molecular weight of 539.71 g/mol. Its IUPAC name is N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID59332079
Molecular FormulaC30H33N7OS
Molecular Weight539.71 g/mol
Exact Mass539.25
IUPAC NameN-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCCC2(CCNC2)C1)c1csc(N2CCc3[nH]nc(-c4ccccc4)c3C2)n1
InChIInChI=1S/C30H33N7OS/c38-28(32-24-9-4-5-10-26(24)37-15-6-12-30(20-37)13-14-31-19-30)25-18-39-29(33-25)36-16-11-23-22(17-36)27(35-34-23)21-7-2-1-3-8-21/h1-5,7-10,18,31H,6,11-17,19-20H2,(H,32,38)(H,34,35)
InChIKeyAZTKVCYJLMHFEY-UHFFFAOYSA-N
XLogP4.93
TPSA89.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.71
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide (CID 59332079) is N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide is O=C(Nc1ccccc1N1CCCC2(CCNC2)C1)c1csc(N2CCc3[nH]nc(-c4ccccc4)c3C2)n1.
What is the InChIKey of N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is AZTKVCYJLMHFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7OS/c38-28(32-24-9-4-5-10-26(24)37-15-6-12-30(20-37)13-14-31-19-30)25-18-39-29(33-25)36-16-11-23-22(17-36)27(35-34-23)21-7-2-1-3-8-21/h1-5,7-10,18,31H,6,11-17,19-20H2,(H,32,38)(H,34,35).
What are the key properties of N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide?
N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 539.71 g/mol, XLogP of 4.93, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,7-diazaspiro[4.5]decan-7-yl)phenyl]-2-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 59332079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).