8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

C27H24N6O2 — CID 172790159

IUPAC8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(c1)CCCC2Oc1ccc2cnn(-c3ccc(N4CC5(COC5)C4)nc3)c2c1
InChIInChI=1S/C27H24N6O2/c28-10-18-8-19-2-1-3-24(26(19)30-11-18)35-22-6-4-20-12-31-33(23(20)9-22)21-5-7-25(29-13-21)32-14-27(15-32)16-34-17-27/h4-9,11-13,24H,1-3,14-17H2
InChIKeyPLOLOWCMMUFRAM-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.98
Rot. Bonds4

About 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile

8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (PubChem CID 172790159) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.

Molecular Properties

Compound Name8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
PubChem CID172790159
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile
SMILESN#Cc1cnc2c(c1)CCCC2Oc1ccc2cnn(-c3ccc(N4CC5(COC5)C4)nc3)c2c1
InChIInChI=1S/C27H24N6O2/c28-10-18-8-19-2-1-3-24(26(19)30-11-18)35-22-6-4-20-12-31-33(23(20)9-22)21-5-7-25(29-13-21)32-14-27(15-32)16-34-17-27/h4-9,11-13,24H,1-3,14-17H2
InChIKeyPLOLOWCMMUFRAM-UHFFFAOYSA-N
XLogP3.98
TPSA89.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile with MolForge

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Launch Full Analysis

Related Compounds

3-[(7-Methoxy-4-quinolyl)oxymethyl]-6-phenyl[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57406577
(S)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy)quinoline
CID 25064510
(R)-7-methoxy-4-(1-(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethoxy)quinoline
CID 25065131
2-Phenyl-6-phenylmethoxypyrazolo[3,4-c]quinolin-4-amine
CID 53258079
2-[[3-(1-Methylpyrazol-4-yl)benzimidazol-5-yl]oxymethyl]quinoline
CID 76331836
4-[8-[(2-Amino-4-pyridinyl)methoxy]-7-methoxy-3-methylpyrazolo[3,4-c]quinolin-1-yl]benzonitrile
CID 56591536
US10457677, Example 207
CID 134325518
US10112942, Example 452
CID 134436571
US10112942, Example 547
CID 134436943
7-[6-[[2-(azetidin-1-yl)quinolin-7-yl]oxymethyl]pyrazin-2-yl]-5-[(2R)-oxolan-2-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304036
1-[7-[[5-[4-Amino-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-7-yl]-3-pyridinyl]methoxy]quinolin-2-yl]azetidin-3-ol
CID 156304061
7-[5-[[2-(5-Azaspiro[2.3]hexan-5-yl)quinolin-7-yl]oxymethyl]-3-pyridinyl]-5-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 156304069

Frequently Asked Questions

What is the IUPAC name of 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The IUPAC name of 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile (CID 172790159) is 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile.
What is the SMILES notation for 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The canonical SMILES for 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is N#Cc1cnc2c(c1)CCCC2Oc1ccc2cnn(-c3ccc(N4CC5(COC5)C4)nc3)c2c1.
What is the InChIKey of 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
The InChIKey is PLOLOWCMMUFRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c28-10-18-8-19-2-1-3-24(26(19)30-11-18)35-22-6-4-20-12-31-33(23(20)9-22)21-5-7-25(29-13-21)32-14-27(15-32)16-34-17-27/h4-9,11-13,24H,1-3,14-17H2.
What are the key properties of 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile?
8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[1-[6-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]indazol-6-yl]oxy-5,6,7,8-tetrahydroquinoline-3-carbonitrile is sourced from PubChem (CID 172790159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).