2-[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]-N-methylacetamide

C25H33N9O2 — CID 142484810

IUPAC2-[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]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-15-22(26)25(14-36-15)7-10-33(11-8-25)19-13-28-21-23(30-19)31-32-24(21)34-9-3-4-17-18(34)6-5-16(29-17)12-20(35)27-2/h5-6,13,15,22H,3-4,7-12,14,26H2,1-2H3,(H,27,35)(H,30,31,32)/t15-,22+/m0/s1
InChIKeyNXBMIYFYRIXBHS-OYHNWAKOSA-N
MW491.60 g/mol
LogP1.45
Rot. Bonds4

About 2-[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]-N-methylacetamide

2-[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]-N-methylacetamide (PubChem CID 142484810) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is 2-[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]-N-methylacetamide.

Molecular Properties

Compound Name2-[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]-N-methylacetamide
PubChem CID142484810
Molecular FormulaC25H33N9O2
Molecular Weight491.60 g/mol
Exact Mass491.28
IUPAC Name2-[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]-N-methylacetamide
SMILESCNC(=O)Cc1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-15-22(26)25(14-36-15)7-10-33(11-8-25)19-13-28-21-23(30-19)31-32-24(21)34-9-3-4-17-18(34)6-5-16(29-17)12-20(35)27-2/h5-6,13,15,22H,3-4,7-12,14,26H2,1-2H3,(H,27,35)(H,30,31,32)/t15-,22+/m0/s1
InChIKeyNXBMIYFYRIXBHS-OYHNWAKOSA-N
XLogP1.45
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 2-[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]-N-methylacetamide 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-[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]-N-methylacetamide?
The IUPAC name of 2-[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]-N-methylacetamide (CID 142484810) is 2-[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]-N-methylacetamide.
What is the SMILES notation for 2-[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]-N-methylacetamide?
The canonical SMILES for 2-[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]-N-methylacetamide is CNC(=O)Cc1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
What is the InChIKey of 2-[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]-N-methylacetamide?
The InChIKey is NXBMIYFYRIXBHS-OYHNWAKOSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-15-22(26)25(14-36-15)7-10-33(11-8-25)19-13-28-21-23(30-19)31-32-24(21)34-9-3-4-17-18(34)6-5-16(29-17)12-20(35)27-2/h5-6,13,15,22H,3-4,7-12,14,26H2,1-2H3,(H,27,35)(H,30,31,32)/t15-,22+/m0/s1.
What are the key properties of 2-[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]-N-methylacetamide?
2-[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]-N-methylacetamide has a molecular weight of 491.60 g/mol, XLogP of 1.45, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[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]-N-methylacetamide is sourced from PubChem (CID 142484810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).