[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

C19H26N6O4S — CID 170623212

IUPAC[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cnc4c(c3)CNS4(=O)=O)n[nH]2)C1
InChIInChI=1S/C19H26N6O4S/c1-19(2,3)23-18(26)29-14-5-4-11(7-14)15-8-16(25-24-15)22-13-6-12-9-21-30(27,28)17(12)20-10-13/h6,8,10-11,14,21H,4-5,7,9H2,1-3H3,(H,23,26)(H2,22,24,25)/t11-,14+/m0/s1
InChIKeyAXGNEWZINNKTFS-SMDDNHRTSA-N
MW434.52 g/mol
LogP2.50
Rot. Bonds4

About [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 170623212) has the molecular formula C19H26N6O4S and a molecular weight of 434.52 g/mol. Its IUPAC name is [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID170623212
Molecular FormulaC19H26N6O4S
Molecular Weight434.52 g/mol
Exact Mass434.17
IUPAC Name[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cnc4c(c3)CNS4(=O)=O)n[nH]2)C1
InChIInChI=1S/C19H26N6O4S/c1-19(2,3)23-18(26)29-14-5-4-11(7-14)15-8-16(25-24-15)22-13-6-12-9-21-30(27,28)17(12)20-10-13/h6,8,10-11,14,21H,4-5,7,9H2,1-3H3,(H,23,26)(H2,22,24,25)/t11-,14+/m0/s1
InChIKeyAXGNEWZINNKTFS-SMDDNHRTSA-N
XLogP2.50
TPSA138.10 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate with MolForge

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Related Compounds

[(1R,3S)-3-[3-[(6,6-dioxo-5,7-dihydrothieno[3,4-b]pyridin-3-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 170623573
[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[4,5-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 170623291
[(3S)-3-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-6-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 170623800
[4-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)amino]-1H-pyrazol-5-yl]cyclohexyl] N-propan-2-ylcarbamate
CID 170623336
[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-propan-2-ylcarbamate
CID 176714690
[(1R,3S)-3-[3-[[2-(5-methoxy-1,3-thiazol-2-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 154616660
[3-[3-[[2-(5-methyl-1,2-oxazol-3-yl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025358
[(1S,3R)-3-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 3-hydroxypyrrolidine-1-carboxylate
CID 177305911
[(1S,3R)-3-[3-[(2,2-dioxo-1,3-dihydro-2-benzothiophen-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-[(2S)-1,1,1-trifluoropropan-2-yl]carbamate
CID 177076304
[(1R,3S)-3-[3-[[2-(hydroxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 167293866
[(1S,3R)-3-[3-[(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] 3-hydroxy-3-methylpyrrolidine-1-carboxylate
CID 177305896
[3-[3-[[2-(3-fluoro-2-pyridinyl)acetyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
CID 155025584

Frequently Asked Questions

What is the IUPAC name of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (CID 170623212) is [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)O[C@@H]1CC[C@H](c2cc(Nc3cnc4c(c3)CNS4(=O)=O)n[nH]2)C1.
What is the InChIKey of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is AXGNEWZINNKTFS-SMDDNHRTSA-N. The full InChI is InChI=1S/C19H26N6O4S/c1-19(2,3)23-18(26)29-14-5-4-11(7-14)15-8-16(25-24-15)22-13-6-12-9-21-30(27,28)17(12)20-10-13/h6,8,10-11,14,21H,4-5,7,9H2,1-3H3,(H,23,26)(H2,22,24,25)/t11-,14+/m0/s1.
What are the key properties of [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
[(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 434.52 g/mol, XLogP of 2.50, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3S)-3-[3-[(1,1-dioxo-2,3-dihydro-[1,2]thiazolo[5,4-b]pyridin-5-yl)amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 170623212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).