(4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

C26H34N8O2 — CID 135388619

IUPAC(4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C26H34N8O2/c1-15-6-9-34(19-5-4-17(12-18(15)19)25(35)28-3)24-21-23(31-32-24)30-20(13-29-21)33-10-7-26(8-11-33)14-36-16(2)22(26)27/h4-5,12-13,15-16,22H,6-11,14,27H2,1-3H3,(H,28,35)(H,30,31,32)/t15-,16-,22+/m0/s1
InChIKeyCZCDZBYPTYLGTI-PONJGIIJSA-N
MW490.61 g/mol
LogP2.69
Rot. Bonds3

About (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide

(4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 135388619) has the molecular formula C26H34N8O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name(4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID135388619
Molecular FormulaC26H34N8O2
Molecular Weight490.61 g/mol
Exact Mass490.28
IUPAC Name(4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCNC(=O)c1ccc2c(c1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12
InChIInChI=1S/C26H34N8O2/c1-15-6-9-34(19-5-4-17(12-18(15)19)25(35)28-3)24-21-23(31-32-24)30-20(13-29-21)33-10-7-26(8-11-33)14-36-16(2)22(26)27/h4-5,12-13,15-16,22H,6-11,14,27H2,1-3H3,(H,28,35)(H,30,31,32)/t15-,16-,22+/m0/s1
InChIKeyCZCDZBYPTYLGTI-PONJGIIJSA-N
XLogP2.69
TPSA125.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide (CID 135388619) is (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is CNC(=O)c1ccc2c(c1)[C@@H](C)CCN2c1n[nH]c2nc(N3CCC4(CC3)CO[C@@H](C)[C@H]4N)cnc12.
What is the InChIKey of (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is CZCDZBYPTYLGTI-PONJGIIJSA-N. The full InChI is InChI=1S/C26H34N8O2/c1-15-6-9-34(19-5-4-17(12-18(15)19)25(35)28-3)24-21-23(31-32-24)30-20(13-29-21)33-10-7-26(8-11-33)14-36-16(2)22(26)27/h4-5,12-13,15-16,22H,6-11,14,27H2,1-3H3,(H,28,35)(H,30,31,32)/t15-,16-,22+/m0/s1.
What are the key properties of (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide?
(4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 2.69, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[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,4-dimethyl-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 135388619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).