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

C19H19ClN8O2S — CID 129127809

IUPAC2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2cncn2c1N1CCS(=O)CC1
InChIInChI=1S/C19H19ClN8O2S/c20-13-8-12(9-24-18(29)15-16(21)25-28-3-1-2-23-17(15)28)19(27-11-22-10-14(13)27)26-4-6-31(30)7-5-26/h1-3,8,10-11H,4-7,9H2,(H2,21,25)(H,24,29)
InChIKeyQRJGUKVYFMMMBO-UHFFFAOYSA-N
MW458.94 g/mol
LogP1.11
Rot. Bonds4

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

2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 129127809) has the molecular formula C19H19ClN8O2S and a molecular weight of 458.94 g/mol. Its IUPAC name is 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID129127809
Molecular FormulaC19H19ClN8O2S
Molecular Weight458.94 g/mol
Exact Mass458.10
IUPAC Name2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2cncn2c1N1CCS(=O)CC1
InChIInChI=1S/C19H19ClN8O2S/c20-13-8-12(9-24-18(29)15-16(21)25-28-3-1-2-23-17(15)28)19(27-11-22-10-14(13)27)26-4-6-31(30)7-5-26/h1-3,8,10-11H,4-7,9H2,(H2,21,25)(H,24,29)
InChIKeyQRJGUKVYFMMMBO-UHFFFAOYSA-N
XLogP1.11
TPSA122.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.94
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

2-amino-N-[[8-chloro-5-(2-methyl-1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetaldehyde
CID 159588660
2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097895
2-amino-N-[1-[8-chloro-5-(1,1-dioxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]-2-methylpropyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 129097596
2-amino-N-[1-[8-chloro-5-(4-fluoropiperidin-1-yl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097891
2-amino-N-[(1S)-1-[8-chloro-5-[(2S)-2-methyl-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-[(1S)-1-[8-chloro-5-[(2R)-2-methyl-1,1-dioxo-1,4-thiazinan-4-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 161220493
2-amino-N-[1-[8-chloro-5-[(3S)-3-hydroxypiperidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 146232796
2-[[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]methyl]-5-chloro-1-benzofuran-7-carboxylic acid
CID 164866828
[(3R,5R)-1-[6-[1-[(2-aminopyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]ethyl]-8-chloroimidazo[1,5-a]pyridin-5-yl]-5-hydroxypiperidin-3-yl] 2,2,2-trifluoroacetate
CID 129097693
2-amino-N-[1-[8-chloro-5-[(2S)-2-methylpyrrolidin-1-yl]imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;bis(2,2,2-trifluoroacetic acid)
CID 129097454
4-(8-chloro-6-ethylimidazo[1,5-a]pyridin-5-yl)-2-methyl-1,4-thiazinane 1-oxide
CID 145307637
2-amino-N-[1-[8-chloro-5-(4-methylsulfonylphenyl)imidazo[1,5-a]pyridin-6-yl]ethyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 129097986
ethyl 2-aminopyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 66850701

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 129127809) is 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is Nc1nn2cccnc2c1C(=O)NCc1cc(Cl)c2cncn2c1N1CCS(=O)CC1.
What is the InChIKey of 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is QRJGUKVYFMMMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN8O2S/c20-13-8-12(9-24-18(29)15-16(21)25-28-3-1-2-23-17(15)28)19(27-11-22-10-14(13)27)26-4-6-31(30)7-5-26/h1-3,8,10-11H,4-7,9H2,(H2,21,25)(H,24,29).
What are the key properties of 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 458.94 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[8-chloro-5-(1-oxo-1,4-thiazinan-4-yl)imidazo[1,5-a]pyridin-6-yl]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 129127809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).