2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C22H25ClN8O3S — CID 129097491

IUPAC2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C22H25ClN8O3S/c1-13(27-20(32)17-18(24)28-31-6-4-5-26-19(17)31)14-9-15(23)16-10-25-12-30(16)21(14)29-7-8-35(33,34)22(2,3)11-29/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,24,28)(H,27,32)
InChIKeyOYMFAKKBOZYEMD-UHFFFAOYSA-N
MW517.02 g/mol
LogP2.12
Rot. Bonds4

About 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097491) has the molecular formula C22H25ClN8O3S and a molecular weight of 517.02 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097491
Molecular FormulaC22H25ClN8O3S
Molecular Weight517.02 g/mol
Exact Mass516.15
IUPAC Name2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)C(C)(C)C1
InChIInChI=1S/C22H25ClN8O3S/c1-13(27-20(32)17-18(24)28-31-6-4-5-26-19(17)31)14-9-15(23)16-10-25-12-30(16)21(14)29-7-8-35(33,34)22(2,3)11-29/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,24,28)(H,27,32)
InChIKeyOYMFAKKBOZYEMD-UHFFFAOYSA-N
XLogP2.12
TPSA139.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500517.02
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097491) is 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC(NC(=O)c1c(N)nn2cccnc12)c1cc(Cl)c2cncn2c1N1CCS(=O)(=O)C(C)(C)C1.
What is the InChIKey of 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OYMFAKKBOZYEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN8O3S/c1-13(27-20(32)17-18(24)28-31-6-4-5-26-19(17)31)14-9-15(23)16-10-25-12-30(16)21(14)29-7-8-35(33,34)22(2,3)11-29/h4-6,9-10,12-13H,7-8,11H2,1-3H3,(H2,24,28)(H,27,32).
What are the key properties of 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 517.02 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[8-chloro-5-(2,2-dimethyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).