2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol

C27H34N10O2 — CID 135388329

IUPAC2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7cnn(CCO)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C27H34N10O2/c1-17-24(28)27(16-39-17)6-9-35(10-7-27)22-14-29-23-25(32-22)33-34-26(23)37-8-2-3-20-21(37)5-4-19(31-20)18-13-30-36(15-18)11-12-38/h4-5,13-15,17,24,38H,2-3,6-12,16,28H2,1H3,(H,32,33,34)/t17-,24+/m0/s1
InChIKeySXIKTIPAXMRODS-BXKMTCNYSA-N
MW530.64 g/mol
LogP2.02
Rot. Bonds5

About 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol

2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol (PubChem CID 135388329) has the molecular formula C27H34N10O2 and a molecular weight of 530.64 g/mol. Its IUPAC name is 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol
PubChem CID135388329
Molecular FormulaC27H34N10O2
Molecular Weight530.64 g/mol
Exact Mass530.29
IUPAC Name2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7cnn(CCO)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C27H34N10O2/c1-17-24(28)27(16-39-17)6-9-35(10-7-27)22-14-29-23-25(32-22)33-34-26(23)37-8-2-3-20-21(37)5-4-19(31-20)18-13-30-36(15-18)11-12-38/h4-5,13-15,17,24,38H,2-3,6-12,16,28H2,1H3,(H,32,33,34)/t17-,24+/m0/s1
InChIKeySXIKTIPAXMRODS-BXKMTCNYSA-N
XLogP2.02
TPSA147.13 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.64
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol 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 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol (CID 135388329) is 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(-c7cnn(CCO)c7)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol?
The InChIKey is SXIKTIPAXMRODS-BXKMTCNYSA-N. The full InChI is InChI=1S/C27H34N10O2/c1-17-24(28)27(16-39-17)6-9-35(10-7-27)22-14-29-23-25(32-22)33-34-26(23)37-8-2-3-20-21(37)5-4-19(31-20)18-13-30-36(15-18)11-12-38/h4-5,13-15,17,24,38H,2-3,6-12,16,28H2,1H3,(H,32,33,34)/t17-,24+/m0/s1.
What are the key properties of 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol?
2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol has a molecular weight of 530.64 g/mol, XLogP of 2.02, 5 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[6-[(3S,4S)-4-amino-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]-1H-pyrazolo[3,4-b]pyrazin-3-yl]-7,8-dihydro-6H-1,5-naphthyridin-2-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 135388329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).