(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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide

C26H35N9O2 — CID 135388316

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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(C(=O)N(C)C)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H35N9O2/c1-15-7-10-35(18-6-5-17(29-20(15)18)25(36)33(3)4)24-21-23(31-32-24)30-19(13-28-21)34-11-8-26(9-12-34)14-37-16(2)22(26)27/h5-6,13,15-16,22H,7-12,14,27H2,1-4H3,(H,30,31,32)/t15-,16-,22+/m0/s1
InChIKeyCSQAQYNGXJMGET-PONJGIIJSA-N
MW505.63 g/mol
LogP2.43
Rot. Bonds3

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,N,8-trimethyl-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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 135388316) has the molecular formula C26H35N9O2 and a molecular weight of 505.63 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,N,8-trimethyl-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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
PubChem CID135388316
Molecular FormulaC26H35N9O2
Molecular Weight505.63 g/mol
Exact Mass505.29
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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(C(=O)N(C)C)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C26H35N9O2/c1-15-7-10-35(18-6-5-17(29-20(15)18)25(36)33(3)4)24-21-23(31-32-24)30-19(13-28-21)34-11-8-26(9-12-34)14-37-16(2)22(26)27/h5-6,13,15-16,22H,7-12,14,27H2,1-4H3,(H,30,31,32)/t15-,16-,22+/m0/s1
InChIKeyCSQAQYNGXJMGET-PONJGIIJSA-N
XLogP2.43
TPSA129.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.63
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide with MolForge

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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,N,8-trimethyl-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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 135388316) 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,N,8-trimethyl-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,N,8-trimethyl-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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is C[C@@H]1OCC2(CCN(c3cnc4c(N5CC[C@H](C)c6nc(C(=O)N(C)C)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The InChIKey is CSQAQYNGXJMGET-PONJGIIJSA-N. The full InChI is InChI=1S/C26H35N9O2/c1-15-7-10-35(18-6-5-17(29-20(15)18)25(36)33(3)4)24-21-23(31-32-24)30-19(13-28-21)34-11-8-26(9-12-34)14-37-16(2)22(26)27/h5-6,13,15-16,22H,7-12,14,27H2,1-4H3,(H,30,31,32)/t15-,16-,22+/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,N,8-trimethyl-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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 505.63 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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,N,8-trimethyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 135388316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).