9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one

C22H20N4O3 — CID 170108333

IUPAC9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one
SMILESCOCc1ccc(-c2ccc3ncc4c5c3c2OCC2(CC2)n5c(=O)n4C)cn1
InChIInChI=1S/C22H20N4O3/c1-25-17-10-24-16-6-5-15(13-3-4-14(11-28-2)23-9-13)20-18(16)19(17)26(21(25)27)22(7-8-22)12-29-20/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyKYWXPMFCGUINIY-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.98
Rot. Bonds3

About 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one

9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one (PubChem CID 170108333) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one.

Molecular Properties

Compound Name9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one
PubChem CID170108333
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC Name9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one
SMILESCOCc1ccc(-c2ccc3ncc4c5c3c2OCC2(CC2)n5c(=O)n4C)cn1
InChIInChI=1S/C22H20N4O3/c1-25-17-10-24-16-6-5-15(13-3-4-14(11-28-2)23-9-13)20-18(16)19(17)26(21(25)27)22(7-8-22)12-29-20/h3-6,9-10H,7-8,11-12H2,1-2H3
InChIKeyKYWXPMFCGUINIY-UHFFFAOYSA-N
XLogP2.98
TPSA71.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one with MolForge

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Related Compounds

10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
CID 170106326
10-fluoro-2-methyl-9-(6-pyrrolidin-1-yl-3-pyridinyl)spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclobutane]-3-one
CID 170105364
10-fluoro-2-methyl-9-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
CID 163217838
1'-ethyl-10-methoxy-2-methyl-9-(1-methylpyrazol-4-yl)spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,3'-azetidine]-3-one
CID 170105321
9-[6-[3-(dimethylamino)pyrrolidin-1-yl]-3-pyridinyl]-10-fluoro-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,1'-cyclopropane]-3-one
CID 170105370
8-[6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406066
11-(2H-azirin-3-yl)-10-fluoro-9-(6-fluoro-3-pyridinyl)-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclobutane]-3-one
CID 170106707
2-methyl-9-[6-(3-piperidin-1-ylpropoxy)-3-pyridinyl]spiro[2,4,7,13-tetrazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclobutane]-3-one
CID 163217909
8-[2-fluoro-6-(methoxymethyl)-3-pyridinyl]-3-methyl-1-[(3R)-oxan-3-yl]imidazo[4,5-c]quinolin-2-one
CID 130406080
10-fluoro-2-methyl-9-[6-[(E)-3-methyl-5-piperidin-1-ylpent-1-enyl]-3-pyridinyl]spiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaene-5,3'-oxetane]-3-one
CID 170105176
5-(hydroxymethyl)-10-methoxy-2-methyl-9-(1-methylpyrrol-3-yl)-7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(15),8(16),9,11,13-pentaen-3-one
CID 163217897
8-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-3-methyl-1-(4-methyloxan-4-yl)imidazo[4,5-c]quinolin-2-one
CID 118502921

Frequently Asked Questions

What is the IUPAC name of 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one?
The IUPAC name of 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one (CID 170108333) is 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one.
What is the SMILES notation for 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one?
The canonical SMILES for 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one is COCc1ccc(-c2ccc3ncc4c5c3c2OCC2(CC2)n5c(=O)n4C)cn1.
What is the InChIKey of 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one?
The InChIKey is KYWXPMFCGUINIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-25-17-10-24-16-6-5-15(13-3-4-14(11-28-2)23-9-13)20-18(16)19(17)26(21(25)27)22(7-8-22)12-29-20/h3-6,9-10H,7-8,11-12H2,1-2H3.
What are the key properties of 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one?
9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one has a molecular weight of 388.43 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[6-(methoxymethyl)-3-pyridinyl]-2-methylspiro[7-oxa-2,4,13-triazatetracyclo[6.6.2.04,15.012,16]hexadeca-1(14),8,10,12,15-pentaene-5,1'-cyclopropane]-3-one is sourced from PubChem (CID 170108333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).