[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C15H16N6OS — CID 95828710

IUPAC[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC[C@@H](c3ccc4sc(N)nc4n3)C2)cn1
InChIInChI=1S/C15H16N6OS/c1-20-7-10(6-17-20)14(22)21-5-4-9(8-21)11-2-3-12-13(18-11)19-15(16)23-12/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18,19)/t9-/m1/s1
InChIKeyVVOGQLCKOKJYHF-SECBINFHSA-N
MW328.40 g/mol
LogP1.64
Rot. Bonds2

About [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 95828710) has the molecular formula C15H16N6OS and a molecular weight of 328.40 g/mol. Its IUPAC name is [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID95828710
Molecular FormulaC15H16N6OS
Molecular Weight328.40 g/mol
Exact Mass328.11
IUPAC Name[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCn1cc(C(=O)N2CC[C@@H](c3ccc4sc(N)nc4n3)C2)cn1
InChIInChI=1S/C15H16N6OS/c1-20-7-10(6-17-20)14(22)21-5-4-9(8-21)11-2-3-12-13(18-11)19-15(16)23-12/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18,19)/t9-/m1/s1
InChIKeyVVOGQLCKOKJYHF-SECBINFHSA-N
XLogP1.64
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.40
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[3-(2-amino-1,3-thiazol-4-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110090247
(1-methylpyrazol-4-yl)-[(3R)-3-(5-methyl-2-pyridinyl)piperidin-1-yl]methanone
CID 95824581
(1-methylpyrazol-4-yl)-[(3S)-3-pyrimidin-4-ylpiperidin-1-yl]methanone
CID 95845824
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(1-methylpyrazol-4-yl)methanone
CID 51220232
[3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110224446
[4-[6-(methylamino)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95824574
(1-methylpyrazol-4-yl)-(4-pyrazin-2-ylpiperidin-1-yl)methanone
CID 95824601
(1-methylpyrazol-4-yl)-[3-[2-(morpholine-4-carbonyl)-1-benzothiophen-3-yl]pyrrolidin-1-yl]methanone
CID 110251017
[2-(2-amino-1,3-thiazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110258834
[4-(2-methylpyrazolo[1,5-a]pyrimidin-5-yl)piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 110132814
(3-aminoazetidin-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 63755993
(3S)-N-methyl-1-(1-methylpyrazole-4-carbonyl)pyrrolidine-3-carboxamide
CID 95839704

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 95828710) is [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cn1cc(C(=O)N2CC[C@@H](c3ccc4sc(N)nc4n3)C2)cn1.
What is the InChIKey of [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is VVOGQLCKOKJYHF-SECBINFHSA-N. The full InChI is InChI=1S/C15H16N6OS/c1-20-7-10(6-17-20)14(22)21-5-4-9(8-21)11-2-3-12-13(18-11)19-15(16)23-12/h2-3,6-7,9H,4-5,8H2,1H3,(H2,16,18,19)/t9-/m1/s1.
What are the key properties of [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone has a molecular weight of 328.40 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-(2-amino-[1,3]thiazolo[4,5-b]pyridin-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 95828710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).