5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

C23H26ClN7O2S2 — CID 71115479

IUPAC5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCc1cnc(-c2ccc(-c3cnn4c(N)c(S(C)(=O)=O)c(C5C[C@H]6CC[C@@H](C5)N6)nc34)cn2)s1.Cl
InChIInChI=1S/C23H25N7O2S2.ClH/c1-12-9-26-23(33-12)18-6-3-13(10-25-18)17-11-27-30-21(24)20(34(2,31)32)19(29-22(17)30)14-7-15-4-5-16(8-14)28-15;/h3,6,9-11,14-16,28H,4-5,7-8,24H2,1-2H3;1H/t14?,15-,16+;
InChIKeyIALWSIINDGDQMB-XSEGPNBXSA-N
MW532.10 g/mol
LogP3.63
Rot. Bonds4

About 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride

5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (PubChem CID 71115479) has the molecular formula C23H26ClN7O2S2 and a molecular weight of 532.10 g/mol. Its IUPAC name is 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.

Molecular Properties

Compound Name5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
PubChem CID71115479
Molecular FormulaC23H26ClN7O2S2
Molecular Weight532.10 g/mol
Exact Mass531.13
IUPAC Name5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride
SMILESCc1cnc(-c2ccc(-c3cnn4c(N)c(S(C)(=O)=O)c(C5C[C@H]6CC[C@@H](C5)N6)nc34)cn2)s1.Cl
InChIInChI=1S/C23H25N7O2S2.ClH/c1-12-9-26-23(33-12)18-6-3-13(10-25-18)17-11-27-30-21(24)20(34(2,31)32)19(29-22(17)30)14-7-15-4-5-16(8-14)28-15;/h3,6,9-11,14-16,28H,4-5,7-8,24H2,1-2H3;1H/t14?,15-,16+;
InChIKeyIALWSIINDGDQMB-XSEGPNBXSA-N
XLogP3.63
TPSA128.16 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.10
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The IUPAC name of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride (CID 71115479) is 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride.
What is the SMILES notation for 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The canonical SMILES for 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is Cc1cnc(-c2ccc(-c3cnn4c(N)c(S(C)(=O)=O)c(C5C[C@H]6CC[C@@H](C5)N6)nc34)cn2)s1.Cl.
What is the InChIKey of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
The InChIKey is IALWSIINDGDQMB-XSEGPNBXSA-N. The full InChI is InChI=1S/C23H25N7O2S2.ClH/c1-12-9-26-23(33-12)18-6-3-13(10-25-18)17-11-27-30-21(24)20(34(2,31)32)19(29-22(17)30)14-7-15-4-5-16(8-14)28-15;/h3,6,9-11,14-16,28H,4-5,7-8,24H2,1-2H3;1H/t14?,15-,16+;.
What are the key properties of 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride?
5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride has a molecular weight of 532.10 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]-6-methylsulfonyl-3-[6-(5-methyl-1,3-thiazol-2-yl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-7-amine;hydrochloride is sourced from PubChem (CID 71115479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).