(3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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

C26H32N10O — CID 135388314

IUPAC(3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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
SMILESC[C@@H]1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2ccc(-c3ncc[nH]3)nc21
InChIInChI=1S/C26H32N10O/c1-15-5-10-36(18-4-3-17(31-20(15)18)23-28-8-9-29-23)25-21-24(33-34-25)32-19(13-30-21)35-11-6-26(7-12-35)14-37-16(2)22(26)27/h3-4,8-9,13,15-16,22H,5-7,10-12,14,27H2,1-2H3,(H,28,29)(H,32,33,34)/t15-,16+,22-/m1/s1
InChIKeyGIPLOYUIJAHUGJ-ZMPRRUGASA-N
MW500.61 g/mol
LogP3.12
Rot. Bonds3

About (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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

(3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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 (PubChem CID 135388314) has the molecular formula C26H32N10O and a molecular weight of 500.61 g/mol. Its IUPAC name is (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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.

Molecular Properties

Compound Name(3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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
PubChem CID135388314
Molecular FormulaC26H32N10O
Molecular Weight500.61 g/mol
Exact Mass500.28
IUPAC Name(3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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
SMILESC[C@@H]1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2ccc(-c3ncc[nH]3)nc21
InChIInChI=1S/C26H32N10O/c1-15-5-10-36(18-4-3-17(31-20(15)18)23-28-8-9-29-23)25-21-24(33-34-25)32-19(13-30-21)35-11-6-26(7-12-35)14-37-16(2)22(26)27/h3-4,8-9,13,15-16,22H,5-7,10-12,14,27H2,1-2H3,(H,28,29)(H,32,33,34)/t15-,16+,22-/m1/s1
InChIKeyGIPLOYUIJAHUGJ-ZMPRRUGASA-N
XLogP3.12
TPSA137.76 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.61
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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?
The IUPAC name of (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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 135388314) is (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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.
What is the SMILES notation for (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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?
The canonical SMILES for (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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 is C[C@@H]1CCN(c2n[nH]c3nc(N4CCC5(CC4)CO[C@@H](C)[C@H]5N)cnc23)c2ccc(-c3ncc[nH]3)nc21.
What is the InChIKey of (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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?
The InChIKey is GIPLOYUIJAHUGJ-ZMPRRUGASA-N. The full InChI is InChI=1S/C26H32N10O/c1-15-5-10-36(18-4-3-17(31-20(15)18)23-28-8-9-29-23)25-21-24(33-34-25)32-19(13-30-21)35-11-6-26(7-12-35)14-37-16(2)22(26)27/h3-4,8-9,13,15-16,22H,5-7,10-12,14,27H2,1-2H3,(H,28,29)(H,32,33,34)/t15-,16+,22-/m1/s1.
What are the key properties of (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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?
(3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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 has a molecular weight of 500.61 g/mol, XLogP of 3.12, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-8-[3-[(4R)-6-(1H-imidazol-2-yl)-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 is sourced from PubChem (CID 135388314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).