7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one

C27H33FN4O2 — CID 137407841

IUPAC7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1cc(C2CC2)ncc1N1CC2(CC(N(C)C)C2c2ccccc2)N(CC2(F)COC2)C1=O
InChIInChI=1S/C27H33FN4O2/c1-18-11-21(19-9-10-19)29-13-23(18)31-15-27(32(25(31)33)14-26(28)16-34-17-26)12-22(30(2)3)24(27)20-7-5-4-6-8-20/h4-8,11,13,19,22,24H,9-10,12,14-17H2,1-3H3
InChIKeyKSWAUVREJPHJDC-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.10
Rot. Bonds6

About 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one

7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 137407841) has the molecular formula C27H33FN4O2 and a molecular weight of 464.59 g/mol. Its IUPAC name is 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one
PubChem CID137407841
Molecular FormulaC27H33FN4O2
Molecular Weight464.59 g/mol
Exact Mass464.26
IUPAC Name7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1cc(C2CC2)ncc1N1CC2(CC(N(C)C)C2c2ccccc2)N(CC2(F)COC2)C1=O
InChIInChI=1S/C27H33FN4O2/c1-18-11-21(19-9-10-19)29-13-23(18)31-15-27(32(25(31)33)14-26(28)16-34-17-26)12-22(30(2)3)24(27)20-7-5-4-6-8-20/h4-8,11,13,19,22,24H,9-10,12,14-17H2,1-3H3
InChIKeyKSWAUVREJPHJDC-UHFFFAOYSA-N
XLogP4.10
TPSA48.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one (CID 137407841) is 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one is Cc1cc(C2CC2)ncc1N1CC2(CC(N(C)C)C2c2ccccc2)N(CC2(F)COC2)C1=O.
What is the InChIKey of 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is KSWAUVREJPHJDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33FN4O2/c1-18-11-21(19-9-10-19)29-13-23(18)31-15-27(32(25(31)33)14-26(28)16-34-17-26)12-22(30(2)3)24(27)20-7-5-4-6-8-20/h4-8,11,13,19,22,24H,9-10,12,14-17H2,1-3H3.
What are the key properties of 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one?
7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 464.59 g/mol, XLogP of 4.10, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-cyclopropyl-4-methyl-3-pyridinyl)-2-(dimethylamino)-5-[(3-fluorooxetan-3-yl)methyl]-3-phenyl-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 137407841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).