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

C23H29N9O2 — CID 135387816

IUPAC5-[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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(C(N)=O)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C23H29N9O2/c1-13-19(24)23(12-34-13)6-9-31(10-7-23)17-11-26-18-21(28-17)29-30-22(18)32-8-2-3-14-16(32)5-4-15(27-14)20(25)33/h4-5,11,13,19H,2-3,6-10,12,24H2,1H3,(H2,25,33)(H,28,29,30)/t13-,19+/m0/s1
InChIKeyFOORJFWSSKXJOX-ORAYPTAESA-N
MW463.55 g/mol
LogP1.26
Rot. Bonds3

About 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

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 (PubChem CID 135387816) has the molecular formula C23H29N9O2 and a molecular weight of 463.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-[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
PubChem CID135387816
Molecular FormulaC23H29N9O2
Molecular Weight463.55 g/mol
Exact Mass463.24
IUPAC Name5-[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
SMILESC[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(C(N)=O)ccc65)n[nH]c4n3)CC2)[C@@H]1N
InChIInChI=1S/C23H29N9O2/c1-13-19(24)23(12-34-13)6-9-31(10-7-23)17-11-26-18-21(28-17)29-30-22(18)32-8-2-3-14-16(32)5-4-15(27-14)20(25)33/h4-5,11,13,19H,2-3,6-10,12,24H2,1H3,(H2,25,33)(H,28,29,30)/t13-,19+/m0/s1
InChIKeyFOORJFWSSKXJOX-ORAYPTAESA-N
XLogP1.26
TPSA152.17 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.55
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@@H]1OCC2(CCN(c3cnc4c(N5CCCc6nc(C(N)=O)ccc65)n[nH]c4n3)CC2)[C@@H]1N.
What is the InChIKey of 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?
The InChIKey is FOORJFWSSKXJOX-ORAYPTAESA-N. The full InChI is InChI=1S/C23H29N9O2/c1-13-19(24)23(12-34-13)6-9-31(10-7-23)17-11-26-18-21(28-17)29-30-22(18)32-8-2-3-14-16(32)5-4-15(27-14)20(25)33/h4-5,11,13,19H,2-3,6-10,12,24H2,1H3,(H2,25,33)(H,28,29,30)/t13-,19+/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 463.55 g/mol, XLogP of 1.26, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 135387816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).