N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

C26H31N5O3S — CID 135259099

IUPACN,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(CCCc2ncnc3sc(C(=O)N(C)C)c(C)c23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C26H31N5O3S/c1-15-13-17(24(33)31-20(15)22(32)29-26(31)11-6-5-7-12-26)9-8-10-18-19-16(2)21(25(34)30(3)4)35-23(19)28-14-27-18/h13-14H,5-12H2,1-4H3,(H,29,32)
InChIKeyYAVGVKVJBOTXHC-UHFFFAOYSA-N
MW493.63 g/mol
LogP3.71
Rot. Bonds5

About N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide

N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide (PubChem CID 135259099) has the molecular formula C26H31N5O3S and a molecular weight of 493.63 g/mol. Its IUPAC name is N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
PubChem CID135259099
Molecular FormulaC26H31N5O3S
Molecular Weight493.63 g/mol
Exact Mass493.21
IUPAC NameN,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide
SMILESCc1cc(CCCc2ncnc3sc(C(=O)N(C)C)c(C)c23)c(=O)n2c1C(=O)NC21CCCCC1
InChIInChI=1S/C26H31N5O3S/c1-15-13-17(24(33)31-20(15)22(32)29-26(31)11-6-5-7-12-26)9-8-10-18-19-16(2)21(25(34)30(3)4)35-23(19)28-14-27-18/h13-14H,5-12H2,1-4H3,(H,29,32)
InChIKeyYAVGVKVJBOTXHC-UHFFFAOYSA-N
XLogP3.71
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.63
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The IUPAC name of N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide (CID 135259099) is N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide.
What is the SMILES notation for N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The canonical SMILES for N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide is Cc1cc(CCCc2ncnc3sc(C(=O)N(C)C)c(C)c23)c(=O)n2c1C(=O)NC21CCCCC1.
What is the InChIKey of N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
The InChIKey is YAVGVKVJBOTXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3S/c1-15-13-17(24(33)31-20(15)22(32)29-26(31)11-6-5-7-12-26)9-8-10-18-19-16(2)21(25(34)30(3)4)35-23(19)28-14-27-18/h13-14H,5-12H2,1-4H3,(H,29,32).
What are the key properties of N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide?
N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide has a molecular weight of 493.63 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,5-trimethyl-4-[3-(8-methyl-1,5-dioxospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-6-yl)propyl]thieno[2,3-d]pyrimidine-6-carboxamide is sourced from PubChem (CID 135259099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).