(8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

C27H37N9O3 — CID 135388458

IUPAC(8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc2c(n1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C27H37N9O3/c1-16-6-10-36(19-5-4-18(31-21(16)19)26(37)29-9-13-38-3)25-22-24(33-34-25)32-20(14-30-22)35-11-7-27(8-12-35)15-39-17(2)23(27)28/h4-5,14,16-17,23H,6-13,15,28H2,1-3H3,(H,29,37)(H,32,33,34)/t16-,17-,23+/m0/s1
InChIKeyBOZXHEQERVBSGV-HKARXFIJSA-N
MW535.65 g/mol
LogP2.10
Rot. Bonds6

About (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

(8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 135388458) has the molecular formula C27H37N9O3 and a molecular weight of 535.65 g/mol. Its IUPAC name is (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name(8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
PubChem CID135388458
Molecular FormulaC27H37N9O3
Molecular Weight535.65 g/mol
Exact Mass535.30
IUPAC Name(8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCOCCNC(=O)c1ccc2c(n1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C27H37N9O3/c1-16-6-10-36(19-5-4-18(31-21(16)19)26(37)29-9-13-38-3)25-22-24(33-34-25)32-20(14-30-22)35-11-7-27(8-12-35)15-39-17(2)23(27)28/h4-5,14,16-17,23H,6-13,15,28H2,1-3H3,(H,29,37)(H,32,33,34)/t16-,17-,23+/m0/s1
InChIKeyBOZXHEQERVBSGV-HKARXFIJSA-N
XLogP2.10
TPSA147.41 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.65
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

(3S,4S)-8-[3-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135388643
13,13-dimethyl-N-[1-(oxan-4-yl)pyrazolo[3,4-b]pyridin-5-yl]-10-oxo-1,3,11-triazatricyclo[7.5.0.02,7]tetradeca-2(7),3,5,8-tetraene-4-carboxamide
CID 68322701
(3S,4S)-8-[3-[(4S)-7-fluoro-4-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146641622
(3S,4S)-8-[3-[(4R)-7-fluoro-4-methyl-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 146641624
(3S,4S)-8-[3-[5-(difluoromethyl)-3,4-dihydro-2H-1,6-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167366381
(3S,4S)-8-[3-[6-(difluoromethyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-3-methyl-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 167845083
N-methyl-5-[2-(morpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]pyridine-2-carboxamide
CID 118869549
US9593097, Example 321
CID 121409281
(8R)-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]-N,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
CID 135387686
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-naphthyridine-2-carboxamide
CID 135387816
(3S)-1-[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]pyrrolidin-3-ol
CID 135387886
(3S,4S)-3-methyl-8-[3-[6-(2-methylpyrazol-3-yl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]-1H-pyrazolo[3,4-b]pyrazin-6-yl]-2-oxa-8-azaspiro[4.5]decan-4-amine
CID 135387934

Frequently Asked Questions

What is the IUPAC name of (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 135388458) is (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is COCCNC(=O)c1ccc2c(n1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
What is the InChIKey of (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The InChIKey is BOZXHEQERVBSGV-HKARXFIJSA-N. The full InChI is InChI=1S/C27H37N9O3/c1-16-6-10-36(19-5-4-18(31-21(16)19)26(37)29-9-13-38-3)25-22-24(33-34-25)32-20(14-30-22)35-11-7-27(8-12-35)15-39-17(2)23(27)28/h4-5,14,16-17,23H,6-13,15,28H2,1-3H3,(H,29,37)(H,32,33,34)/t16-,17-,23+/m0/s1.
What are the key properties of (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
(8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 535.65 g/mol, XLogP of 2.10, 6 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-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]-N-(2-methoxyethyl)-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 135388458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).