ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate

C20H26F3N7O4 — CID 164879912

IUPACethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate
SMILESCC.COCc1cc2c(Nc3cc(C4CC(OC(=O)NCC(F)(F)F)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C18H20F3N7O4.C2H6/c1-30-7-10-4-13-16(22-2-3-28(13)27-10)24-15-6-12(25-26-15)14-5-11(8-31-14)32-17(29)23-9-18(19,20)21;1-2/h2-4,6,11,14H,5,7-9H2,1H3,(H,23,29)(H2,22,24,25,26);1-2H3
InChIKeyAQINGFKZPFGVIQ-UHFFFAOYSA-N
MW485.47 g/mol
LogP3.49
Rot. Bonds7

About ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate

ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate (PubChem CID 164879912) has the molecular formula C20H26F3N7O4 and a molecular weight of 485.47 g/mol. Its IUPAC name is ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate.

Molecular Properties

Compound Nameethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate
PubChem CID164879912
Molecular FormulaC20H26F3N7O4
Molecular Weight485.47 g/mol
Exact Mass485.20
IUPAC Nameethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate
SMILESCC.COCc1cc2c(Nc3cc(C4CC(OC(=O)NCC(F)(F)F)CO4)[nH]n3)nccn2n1
InChIInChI=1S/C18H20F3N7O4.C2H6/c1-30-7-10-4-13-16(22-2-3-28(13)27-10)24-15-6-12(25-26-15)14-5-11(8-31-14)32-17(29)23-9-18(19,20)21;1-2/h2-4,6,11,14H,5,7-9H2,1H3,(H,23,29)(H2,22,24,25,26);1-2H3
InChIKeyAQINGFKZPFGVIQ-UHFFFAOYSA-N
XLogP3.49
TPSA127.69 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.47
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate?
The IUPAC name of ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate (CID 164879912) is ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate.
What is the SMILES notation for ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate?
The canonical SMILES for ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate is CC.COCc1cc2c(Nc3cc(C4CC(OC(=O)NCC(F)(F)F)CO4)[nH]n3)nccn2n1.
What is the InChIKey of ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate?
The InChIKey is AQINGFKZPFGVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O4.C2H6/c1-30-7-10-4-13-16(22-2-3-28(13)27-10)24-15-6-12(25-26-15)14-5-11(8-31-14)32-17(29)23-9-18(19,20)21;1-2/h2-4,6,11,14H,5,7-9H2,1H3,(H,23,29)(H2,22,24,25,26);1-2H3.
What are the key properties of ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate?
ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate has a molecular weight of 485.47 g/mol, XLogP of 3.49, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;[5-[3-[[2-(methoxymethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]-1H-pyrazol-5-yl]oxolan-3-yl] N-(2,2,2-trifluoroethyl)carbamate is sourced from PubChem (CID 164879912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).