4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

C19H23N9O2S2 — CID 155131383

IUPAC4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCCS(=O)(=O)N1CC(CN)(n2cc(-c3nc(Nc4cnn(C)c4)nc4ccsc34)cn2)C1
InChIInChI=1S/C19H23N9O2S2/c1-3-32(29,30)27-11-19(10-20,12-27)28-8-13(6-22-28)16-17-15(4-5-31-17)24-18(25-16)23-14-7-21-26(2)9-14/h4-9H,3,10-12,20H2,1-2H3,(H,23,24,25)
InChIKeyROZJSUWNFUGPOS-UHFFFAOYSA-N
MW473.59 g/mol
LogP1.35
Rot. Bonds7

About 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine

4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (PubChem CID 155131383) has the molecular formula C19H23N9O2S2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
PubChem CID155131383
Molecular FormulaC19H23N9O2S2
Molecular Weight473.59 g/mol
Exact Mass473.14
IUPAC Name4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine
SMILESCCS(=O)(=O)N1CC(CN)(n2cc(-c3nc(Nc4cnn(C)c4)nc4ccsc34)cn2)C1
InChIInChI=1S/C19H23N9O2S2/c1-3-32(29,30)27-11-19(10-20,12-27)28-8-13(6-22-28)16-17-15(4-5-31-17)24-18(25-16)23-14-7-21-26(2)9-14/h4-9H,3,10-12,20H2,1-2H3,(H,23,24,25)
InChIKeyROZJSUWNFUGPOS-UHFFFAOYSA-N
XLogP1.35
TPSA136.85 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

8-methyl-N-(1-methylpyrazol-4-yl)-9-(3-methylthiophen-2-yl)-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 68059465
2-[1-Ethylsulfonyl-3-[4-[4-(5-methylthiophen-2-yl)-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 164613153
2-[1-Ethylsulfonyl-3-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]azetidin-3-yl]acetonitrile
CID 164621906
7-methyl-6-(2-methylpyrazol-3-yl)-2-pyridin-4-yl-N-[(3R)-pyrrolidin-3-yl]thieno[3,2-d]pyrimidin-4-amine
CID 89596359
N-(1,4-dimethylpyrazol-3-yl)-3-(1,2-thiazol-5-yl)thieno[3,2-b]pyridin-5-amine
CID 171934757
2-[3-[4-(4-Thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]-1-(trifluoromethylsulfonyl)azetidin-3-yl]acetonitrile
CID 164615080
1,1,1-trifluoro-N-[2-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]ethyl]methanesulfonamide
CID 164620032
N-[2-[4-(4-thiophen-2-yl-3,8,10-triazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)pyrazol-1-yl]ethyl]propane-1-sulfonamide
CID 164625764
N-{[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]methyl}-1-(prop-2-en-1-yl)-1H-benzimidazol-2-amine
CID 16488543
US20250144094, Example 130
CID 168888595
US20250144094, Example 123
CID 168888625
US20250144094, Example 128
CID 168888688

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine (CID 155131383) is 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is CCS(=O)(=O)N1CC(CN)(n2cc(-c3nc(Nc4cnn(C)c4)nc4ccsc34)cn2)C1.
What is the InChIKey of 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is ROZJSUWNFUGPOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N9O2S2/c1-3-32(29,30)27-11-19(10-20,12-27)28-8-13(6-22-28)16-17-15(4-5-31-17)24-18(25-16)23-14-7-21-26(2)9-14/h4-9H,3,10-12,20H2,1-2H3,(H,23,24,25).
What are the key properties of 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine?
4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 473.59 g/mol, XLogP of 1.35, 7 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(aminomethyl)-1-ethylsulfonylazetidin-3-yl]pyrazol-4-yl]-N-(1-methylpyrazol-4-yl)thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 155131383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).