(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone

C24H23F3N6O — CID 71603193

IUPAC(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C24H23F3N6O/c1-15-3-5-18(21-28-9-2-10-29-21)20(32-15)22(34)33-14-23(7-8-23)11-17(33)13-31-19-6-4-16(12-30-19)24(25,26)27/h2-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,30,31)/t17-/m0/s1
InChIKeyUAGIOQUVPZGBMF-KRWDZBQOSA-N
MW468.48 g/mol
LogP4.37
Rot. Bonds5

About (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone

(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone (PubChem CID 71603193) has the molecular formula C24H23F3N6O and a molecular weight of 468.48 g/mol. Its IUPAC name is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone.

Molecular Properties

Compound Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
PubChem CID71603193
Molecular FormulaC24H23F3N6O
Molecular Weight468.48 g/mol
Exact Mass468.19
IUPAC Name(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone
SMILESCc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1
InChIInChI=1S/C24H23F3N6O/c1-15-3-5-18(21-28-9-2-10-29-21)20(32-15)22(34)33-14-23(7-8-23)11-17(33)13-31-19-6-4-16(12-30-19)24(25,26)27/h2-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,30,31)/t17-/m0/s1
InChIKeyUAGIOQUVPZGBMF-KRWDZBQOSA-N
XLogP4.37
TPSA83.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.48
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
The IUPAC name of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone (CID 71603193) is (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone.
What is the SMILES notation for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
The canonical SMILES for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone is Cc1ccc(-c2ncccn2)c(C(=O)N2CC3(CC3)C[C@H]2CNc2ccc(C(F)(F)F)cn2)n1.
What is the InChIKey of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
The InChIKey is UAGIOQUVPZGBMF-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H23F3N6O/c1-15-3-5-18(21-28-9-2-10-29-21)20(32-15)22(34)33-14-23(7-8-23)11-17(33)13-31-19-6-4-16(12-30-19)24(25,26)27/h2-6,9-10,12,17H,7-8,11,13-14H2,1H3,(H,30,31)/t17-/m0/s1.
What are the key properties of (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone?
(6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone has a molecular weight of 468.48 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3-pyrimidin-2-yl-2-pyridinyl)-[(6S)-6-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]-5-azaspiro[2.4]heptan-5-yl]methanone is sourced from PubChem (CID 71603193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).