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

C22H19ClF3N9O3S — CID 129097533

IUPAC2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CN(c2c(C(NC(=O)c3c(N)nn4cccnc34)C(F)(F)F)cc(Cl)c3c(C#N)ncn23)CCS1(=O)=O
InChIInChI=1S/C22H19ClF3N9O3S/c1-11-9-33(5-6-39(11,37)38)21-12(7-13(23)16-14(8-27)30-10-34(16)21)17(22(24,25)26)31-20(36)15-18(28)32-35-4-2-3-29-19(15)35/h2-4,7,10-11,17H,5-6,9H2,1H3,(H2,28,32)(H,31,36)
InChIKeyMAGFOVVPVQPRDL-UHFFFAOYSA-N
MW581.97 g/mol
LogP2.14
Rot. Bonds4

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

2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129097533) has the molecular formula C22H19ClF3N9O3S and a molecular weight of 581.97 g/mol. Its IUPAC name is 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129097533
Molecular FormulaC22H19ClF3N9O3S
Molecular Weight581.97 g/mol
Exact Mass581.10
IUPAC Name2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCC1CN(c2c(C(NC(=O)c3c(N)nn4cccnc34)C(F)(F)F)cc(Cl)c3c(C#N)ncn23)CCS1(=O)=O
InChIInChI=1S/C22H19ClF3N9O3S/c1-11-9-33(5-6-39(11,37)38)21-12(7-13(23)16-14(8-27)30-10-34(16)21)17(22(24,25)26)31-20(36)15-18(28)32-35-4-2-3-29-19(15)35/h2-4,7,10-11,17H,5-6,9H2,1H3,(H2,28,32)(H,31,36)
InChIKeyMAGFOVVPVQPRDL-UHFFFAOYSA-N
XLogP2.14
TPSA163.78 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500581.97
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]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-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129097533) is 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is CC1CN(c2c(C(NC(=O)c3c(N)nn4cccnc34)C(F)(F)F)cc(Cl)c3c(C#N)ncn23)CCS1(=O)=O.
What is the InChIKey of 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is MAGFOVVPVQPRDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF3N9O3S/c1-11-9-33(5-6-39(11,37)38)21-12(7-13(23)16-14(8-27)30-10-34(16)21)17(22(24,25)26)31-20(36)15-18(28)32-35-4-2-3-29-19(15)35/h2-4,7,10-11,17H,5-6,9H2,1H3,(H2,28,32)(H,31,36).
What are the key properties of 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 581.97 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-[8-chloro-1-cyano-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2,2,2-trifluoroethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129097533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).