[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate

C24H34N6O3S — CID 164880351

IUPAC[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOCc1nc2cc(Nc3cc([C@@H]4CC[C@H](OC(=O)NC(C)C)C4)nn3C(C)(C)C)ncc2s1
InChIInChI=1S/C24H34N6O3S/c1-14(2)26-23(31)33-16-8-7-15(9-16)17-11-21(30(29-17)24(3,4)5)28-20-10-18-19(12-25-20)34-22(27-18)13-32-6/h10-12,14-16H,7-9,13H2,1-6H3,(H,25,28)(H,26,31)/t15-,16+/m1/s1
InChIKeyCAMDARYKEPCBHN-CVEARBPZSA-N
MW486.64 g/mol
LogP5.30
Rot. Bonds7

About [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate

[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate (PubChem CID 164880351) has the molecular formula C24H34N6O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate.

Molecular Properties

Compound Name[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
PubChem CID164880351
Molecular FormulaC24H34N6O3S
Molecular Weight486.64 g/mol
Exact Mass486.24
IUPAC Name[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate
SMILESCOCc1nc2cc(Nc3cc([C@@H]4CC[C@H](OC(=O)NC(C)C)C4)nn3C(C)(C)C)ncc2s1
InChIInChI=1S/C24H34N6O3S/c1-14(2)26-23(31)33-16-8-7-15(9-16)17-11-21(30(29-17)24(3,4)5)28-20-10-18-19(12-25-20)34-22(27-18)13-32-6/h10-12,14-16H,7-9,13H2,1-6H3,(H,25,28)(H,26,31)/t15-,16+/m1/s1
InChIKeyCAMDARYKEPCBHN-CVEARBPZSA-N
XLogP5.30
TPSA103.19 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
The IUPAC name of [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate (CID 164880351) is [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate.
What is the SMILES notation for [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
The canonical SMILES for [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate is COCc1nc2cc(Nc3cc([C@@H]4CC[C@H](OC(=O)NC(C)C)C4)nn3C(C)(C)C)ncc2s1.
What is the InChIKey of [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
The InChIKey is CAMDARYKEPCBHN-CVEARBPZSA-N. The full InChI is InChI=1S/C24H34N6O3S/c1-14(2)26-23(31)33-16-8-7-15(9-16)17-11-21(30(29-17)24(3,4)5)28-20-10-18-19(12-25-20)34-22(27-18)13-32-6/h10-12,14-16H,7-9,13H2,1-6H3,(H,25,28)(H,26,31)/t15-,16+/m1/s1.
What are the key properties of [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate?
[(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate has a molecular weight of 486.64 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[1-tert-butyl-5-[[2-(methoxymethyl)-[1,3]thiazolo[5,4-c]pyridin-6-yl]amino]pyrazol-3-yl]cyclopentyl] N-propan-2-ylcarbamate is sourced from PubChem (CID 164880351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).