(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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

C24H31N9O2 — CID 135388440

IUPAC(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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESC[C@@H]1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2ccc(C(N)=O)nc21
InChIInChI=1S/C24H31N9O2/c1-13-5-8-33(16-4-3-15(21(26)34)28-18(13)16)23-19-22(30-31-23)29-17(11-27-19)32-9-6-24(7-10-32)12-35-14(2)20(24)25/h3-4,11,13-14,20H,5-10,12,25H2,1-2H3,(H2,26,34)(H,29,30,31)/t13-,14+,20-/m1/s1
InChIKeyDQXHNPHUZRTADB-LAPQFRIASA-N
MW477.57 g/mol
LogP1.82
Rot. Bonds3

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

(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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 135388440) has the molecular formula C24H31N9O2 and a molecular weight of 477.57 g/mol. Its IUPAC name is (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name(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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
PubChem CID135388440
Molecular FormulaC24H31N9O2
Molecular Weight477.57 g/mol
Exact Mass477.26
IUPAC Name(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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESC[C@@H]1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2ccc(C(N)=O)nc21
InChIInChI=1S/C24H31N9O2/c1-13-5-8-33(16-4-3-15(21(26)34)28-18(13)16)23-19-22(30-31-23)29-17(11-27-19)32-9-6-24(7-10-32)12-35-14(2)20(24)25/h3-4,11,13-14,20H,5-10,12,25H2,1-2H3,(H2,26,34)(H,29,30,31)/t13-,14+,20-/m1/s1
InChIKeyDQXHNPHUZRTADB-LAPQFRIASA-N
XLogP1.82
TPSA152.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.57
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Frequently Asked Questions

What is the IUPAC name of (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 135388440) is (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is C[C@@H]1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2ccc(C(N)=O)nc21.
What is the InChIKey of (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The InChIKey is DQXHNPHUZRTADB-LAPQFRIASA-N. The full InChI is InChI=1S/C24H31N9O2/c1-13-5-8-33(16-4-3-15(21(26)34)28-18(13)16)23-19-22(30-31-23)29-17(11-27-19)32-9-6-24(7-10-32)12-35-14(2)20(24)25/h3-4,11,13-14,20H,5-10,12,25H2,1-2H3,(H2,26,34)(H,29,30,31)/t13-,14+,20-/m1/s1.
What are the key properties of (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
(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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (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]-8-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 135388440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).