tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate

C38H52N10O5 — CID 135388486

IUPACtert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
SMILESCOCCn1cc(-c2ccc3c(n2)CCCN3c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)cn1
InChIInChI=1S/C38H52N10O5/c1-25-33(43-36(49)53-37(2,3)4)38(24-52-25)13-16-45(17-14-38)30-22-39-32-34(42-30)48(31-10-6-7-19-51-31)44-35(32)47-15-8-9-28-29(47)12-11-27(41-28)26-21-40-46(23-26)18-20-50-5/h11-12,21-23,25,31,33H,6-10,13-20,24H2,1-5H3,(H,43,49)/t25-,31?,33+/m0/s1
InChIKeyQCUPWMGTXCEVED-FLPPCTTKSA-N
MW728.90 g/mol
LogP5.41
Rot. Bonds8

About tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate

tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate (PubChem CID 135388486) has the molecular formula C38H52N10O5 and a molecular weight of 728.90 g/mol. Its IUPAC name is tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
PubChem CID135388486
Molecular FormulaC38H52N10O5
Molecular Weight728.90 g/mol
Exact Mass728.41
IUPAC Nametert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate
SMILESCOCCn1cc(-c2ccc3c(n2)CCCN3c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)cn1
InChIInChI=1S/C38H52N10O5/c1-25-33(43-36(49)53-37(2,3)4)38(24-52-25)13-16-45(17-14-38)30-22-39-32-34(42-30)48(31-10-6-7-19-51-31)44-35(32)47-15-8-9-28-29(47)12-11-27(41-28)26-21-40-46(23-26)18-20-50-5/h11-12,21-23,25,31,33H,6-10,13-20,24H2,1-5H3,(H,43,49)/t25-,31?,33+/m0/s1
InChIKeyQCUPWMGTXCEVED-FLPPCTTKSA-N
XLogP5.41
TPSA146.81 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms53
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500728.90
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate (CID 135388486) is tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate is COCCn1cc(-c2ccc3c(n2)CCCN3c2nn(C3CCCCO3)c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5NC(=O)OC(C)(C)C)cnc23)cn1.
What is the InChIKey of tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
The InChIKey is QCUPWMGTXCEVED-FLPPCTTKSA-N. The full InChI is InChI=1S/C38H52N10O5/c1-25-33(43-36(49)53-37(2,3)4)38(24-52-25)13-16-45(17-14-38)30-22-39-32-34(42-30)48(31-10-6-7-19-51-31)44-35(32)47-15-8-9-28-29(47)12-11-27(41-28)26-21-40-46(23-26)18-20-50-5/h11-12,21-23,25,31,33H,6-10,13-20,24H2,1-5H3,(H,43,49)/t25-,31?,33+/m0/s1.
What are the key properties of tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate?
tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate has a molecular weight of 728.90 g/mol, XLogP of 5.41, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S,4S)-8-[3-[6-[1-(2-methoxyethyl)pyrazol-4-yl]-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1-(oxan-2-yl)pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-yl]carbamate is sourced from PubChem (CID 135388486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).