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

C24H31N9O2 — CID 135388630

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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C24H31N9O2/c1-14-20(25)24(13-35-14)7-10-32(11-8-24)18-12-27-19-21(29-18)30-31-22(19)33-9-3-4-15-17(33)6-5-16(28-15)23(34)26-2/h5-6,12,14,20H,3-4,7-11,13,25H2,1-2H3,(H,26,34)(H,29,30,31)/t14-,20+/m0/s1
InChIKeyIPQVLQCUYGMTAN-VBKZILBWSA-N
MW477.57 g/mol
LogP1.52
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]-N-methyl-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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (PubChem CID 135388630) has the molecular formula C24H31N9O2 and a molecular weight of 477.57 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]-N-methyl-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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
PubChem CID135388630
Molecular FormulaC24H31N9O2
Molecular Weight477.57 g/mol
Exact Mass477.26
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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide
SMILESCNC(=O)c1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C24H31N9O2/c1-14-20(25)24(13-35-14)7-10-32(11-8-24)18-12-27-19-21(29-18)30-31-22(19)33-9-3-4-15-17(33)6-5-16(28-15)23(34)26-2/h5-6,12,14,20H,3-4,7-11,13,25H2,1-2H3,(H,26,34)(H,29,30,31)/t14-,20+/m0/s1
InChIKeyIPQVLQCUYGMTAN-VBKZILBWSA-N
XLogP1.52
TPSA138.18 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 ≤ 51.52
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]-N-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 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-methyl-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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide (CID 135388630) 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]-N-methyl-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]-N-methyl-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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is CNC(=O)c1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide?
The InChIKey is IPQVLQCUYGMTAN-VBKZILBWSA-N. The full InChI is InChI=1S/C24H31N9O2/c1-14-20(25)24(13-35-14)7-10-32(11-8-24)18-12-27-19-21(29-18)30-31-22(19)33-9-3-4-15-17(33)6-5-16(28-15)23(34)26-2/h5-6,12,14,20H,3-4,7-11,13,25H2,1-2H3,(H,26,34)(H,29,30,31)/t14-,20+/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]-N-methyl-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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide has a molecular weight of 477.57 g/mol, XLogP of 1.52, 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]-N-methyl-7,8-dihydro-6H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 135388630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).