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

C26H27FN6O2 — CID 170105370

IUPAC9-[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
SMILESCN(C)C1CCN(c2ccc(-c3c(F)cc4ncc5c6c4c3OCC3(CC3)n6c(=O)n5C)cn2)C1
InChIInChI=1S/C26H27FN6O2/c1-30(2)16-6-9-32(13-16)20-5-4-15(11-29-20)21-17(27)10-18-22-23-19(12-28-18)31(3)25(34)33(23)26(7-8-26)14-35-24(21)22/h4-5,10-12,16H,6-9,13-14H2,1-3H3
InChIKeyWCIOKFVBXJTAQT-UHFFFAOYSA-N
MW474.54 g/mol
LogP3.11
Rot. Bonds3

About 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

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 (PubChem CID 170105370) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name9-[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
PubChem CID170105370
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name9-[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
SMILESCN(C)C1CCN(c2ccc(-c3c(F)cc4ncc5c6c4c3OCC3(CC3)n6c(=O)n5C)cn2)C1
InChIInChI=1S/C26H27FN6O2/c1-30(2)16-6-9-32(13-16)20-5-4-15(11-29-20)21-17(27)10-18-22-23-19(12-28-18)31(3)25(34)33(23)26(7-8-26)14-35-24(21)22/h4-5,10-12,16H,6-9,13-14H2,1-3H3
InChIKeyWCIOKFVBXJTAQT-UHFFFAOYSA-N
XLogP3.11
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CN(C)C1CCN(c2ccc(-c3c(F)cc4ncc5c6c4c3OCC3(CC3)n6c(=O)n5C)cn2)C1.
What is the InChIKey of 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?
The InChIKey is WCIOKFVBXJTAQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-30(2)16-6-9-32(13-16)20-5-4-15(11-29-20)21-17(27)10-18-22-23-19(12-28-18)31(3)25(34)33(23)26(7-8-26)14-35-24(21)22/h4-5,10-12,16H,6-9,13-14H2,1-3H3.
What are the key properties of 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?
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 has a molecular weight of 474.54 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 170105370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).