[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone

C20H25N7OS — CID 56597837

IUPAC[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3nccs3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C20H25N7OS/c1-13-11-27-17(23-18(13)25-8-5-14(21)12-25)10-15(24-27)16-4-2-3-7-26(16)20(28)19-22-6-9-29-19/h6,9-11,14,16H,2-5,7-8,12,21H2,1H3/t14-,16-/m0/s1
InChIKeyOKRBLGIKRTVUNQ-HOCLYGCPSA-N
MW411.54 g/mol
LogP2.40
Rot. Bonds3

About [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone

[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone (PubChem CID 56597837) has the molecular formula C20H25N7OS and a molecular weight of 411.54 g/mol. Its IUPAC name is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
PubChem CID56597837
Molecular FormulaC20H25N7OS
Molecular Weight411.54 g/mol
Exact Mass411.18
IUPAC Name[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone
SMILESCc1cn2nc([C@@H]3CCCCN3C(=O)c3nccs3)cc2nc1N1CC[C@H](N)C1
InChIInChI=1S/C20H25N7OS/c1-13-11-27-17(23-18(13)25-8-5-14(21)12-25)10-15(24-27)16-4-2-3-7-26(16)20(28)19-22-6-9-29-19/h6,9-11,14,16H,2-5,7-8,12,21H2,1H3/t14-,16-/m0/s1
InChIKeyOKRBLGIKRTVUNQ-HOCLYGCPSA-N
XLogP2.40
TPSA92.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.54
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-(4-methylpiperazin-1-yl)acetamide
CID 24768413
N-[(3R)-1-[2,6-dimethyl-3-(1,3-thiazol-2-yl)imidazo[1,2-b]pyridazin-8-yl]pyrrolidin-3-yl]acetamide
CID 135217171
N-[3-piperidin-4-yl-1-(1,3-thiazol-2-yl)pyrazol-5-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 68328671
N-[6-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1,3-thiazole-2-carboxamide
CID 118537114
2-(2-Methyl-1,3-thiazol-4-YL)-1-(4-{pyrazolo[1,5-A]pyrimidin-5-YL}piperidin-1-YL)ethanone
CID 110132802
N-[6-(3,5-dimethylpyrazol-1-yl)-2-(1,3-thiazol-2-yl)pyrimidin-4-yl]-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]acetamide
CID 57428513
[4-(Propan-2-ylamino)-3,7,8,12-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8-tetraen-12-yl]-(1,3-thiazol-4-yl)methanone;2,2,2-trifluoroacetic acid
CID 155852649
7-[1-(1,3-Thiazol-5-ylmethyl)piperidin-2-YL]pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 110100954
7-{1-[(4-Methyl-1,3-thiazol-5-YL)methyl]piperidin-2-YL}pyrazolo[1,5-A]pyrimidine-3-carboxamide
CID 110100955
7-methyl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 53582200
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(thiadiazol-4-yl)methanone
CID 56597387
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)methanone
CID 56597971

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The IUPAC name of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone (CID 56597837) is [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone.
What is the SMILES notation for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The canonical SMILES for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone is Cc1cn2nc([C@@H]3CCCCN3C(=O)c3nccs3)cc2nc1N1CC[C@H](N)C1.
What is the InChIKey of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
The InChIKey is OKRBLGIKRTVUNQ-HOCLYGCPSA-N. The full InChI is InChI=1S/C20H25N7OS/c1-13-11-27-17(23-18(13)25-8-5-14(21)12-25)10-15(24-27)16-4-2-3-7-26(16)20(28)19-22-6-9-29-19/h6,9-11,14,16H,2-5,7-8,12,21H2,1H3/t14-,16-/m0/s1.
What are the key properties of [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone?
[(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone has a molecular weight of 411.54 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[5-[(3S)-3-aminopyrrolidin-1-yl]-6-methylpyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-(1,3-thiazol-2-yl)methanone is sourced from PubChem (CID 56597837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).