N-[[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-naphthyridin-2-yl]methyl]acetamide

C25H33N9O2 — CID 142484341

IUPACN-[[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-naphthyridin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-15-22(26)25(14-36-15)7-10-33(11-8-25)20-13-28-21-23(30-20)31-32-24(21)34-9-3-4-18-19(34)6-5-17(29-18)12-27-16(2)35/h5-6,13,15,22H,3-4,7-12,14,26H2,1-2H3,(H,27,35)(H,30,31,32)/t15-,22+/m0/s1
InChIKeyUSXMICIFVSTKPB-OYHNWAKOSA-N
MW491.60 g/mol
LogP1.80
Rot. Bonds4

About N-[[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-naphthyridin-2-yl]methyl]acetamide

N-[[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-naphthyridin-2-yl]methyl]acetamide (PubChem CID 142484341) has the molecular formula C25H33N9O2 and a molecular weight of 491.60 g/mol. Its IUPAC name is N-[[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-naphthyridin-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[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-naphthyridin-2-yl]methyl]acetamide
PubChem CID142484341
Molecular FormulaC25H33N9O2
Molecular Weight491.60 g/mol
Exact Mass491.28
IUPAC NameN-[[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-naphthyridin-2-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C25H33N9O2/c1-15-22(26)25(14-36-15)7-10-33(11-8-25)20-13-28-21-23(30-20)31-32-24(21)34-9-3-4-18-19(34)6-5-17(29-18)12-27-16(2)35/h5-6,13,15,22H,3-4,7-12,14,26H2,1-2H3,(H,27,35)(H,30,31,32)/t15-,22+/m0/s1
InChIKeyUSXMICIFVSTKPB-OYHNWAKOSA-N
XLogP1.80
TPSA138.18 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.60
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[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-naphthyridin-2-yl]methyl]acetamide?
The IUPAC name of N-[[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-naphthyridin-2-yl]methyl]acetamide (CID 142484341) is N-[[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-naphthyridin-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[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-naphthyridin-2-yl]methyl]acetamide?
The canonical SMILES for N-[[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-naphthyridin-2-yl]methyl]acetamide is CC(=O)NCc1ccc2c(n1)CCCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
What is the InChIKey of N-[[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-naphthyridin-2-yl]methyl]acetamide?
The InChIKey is USXMICIFVSTKPB-OYHNWAKOSA-N. The full InChI is InChI=1S/C25H33N9O2/c1-15-22(26)25(14-36-15)7-10-33(11-8-25)20-13-28-21-23(30-20)31-32-24(21)34-9-3-4-18-19(34)6-5-17(29-18)12-27-16(2)35/h5-6,13,15,22H,3-4,7-12,14,26H2,1-2H3,(H,27,35)(H,30,31,32)/t15-,22+/m0/s1.
What are the key properties of N-[[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-naphthyridin-2-yl]methyl]acetamide?
N-[[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-naphthyridin-2-yl]methyl]acetamide has a molecular weight of 491.60 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[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-naphthyridin-2-yl]methyl]acetamide is sourced from PubChem (CID 142484341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).