CID 156737295

C23H23BF3N5O2 — CID 156737295

IUPAC—
SMILES[B]C(=O)N1CCC(c2cc3c(N(C)Cc4cccc(C(F)F)c4F)ncnc3n(C)c2=O)CC1
InChIInChI=1S/C23H23BF3N5O2/c1-30(11-14-4-3-5-15(18(14)25)19(26)27)20-17-10-16(13-6-8-32(9-7-13)23(24)34)22(33)31(2)21(17)29-12-28-20/h3-5,10,12-13,19H,6-9,11H2,1-2H3
InChIKeyHLUVTROEJZTBMT-UHFFFAOYSA-N
MW469.28 g/mol
LogP3.51
Rot. Bonds5

About CID 156737295

CID 156737295 (PubChem CID 156737295) has the molecular formula C23H23BF3N5O2 and a molecular weight of 469.28 g/mol.

Molecular Properties

Compound NameCID 156737295
PubChem CID156737295
Molecular FormulaC23H23BF3N5O2
Molecular Weight469.28 g/mol
Exact Mass469.19
IUPAC Name—
SMILES[B]C(=O)N1CCC(c2cc3c(N(C)Cc4cccc(C(F)F)c4F)ncnc3n(C)c2=O)CC1
InChIInChI=1S/C23H23BF3N5O2/c1-30(11-14-4-3-5-15(18(14)25)19(26)27)20-17-10-16(13-6-8-32(9-7-13)23(24)34)22(33)31(2)21(17)29-12-28-20/h3-5,10,12-13,19H,6-9,11H2,1-2H3
InChIKeyHLUVTROEJZTBMT-UHFFFAOYSA-N
XLogP3.51
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.28
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

6-(3-acetyl-3-azabicyclo[4.1.0]heptan-6-yl)-4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 156737378
4-[[3-(difluoromethyl)-2-fluorophenyl]methylamino]-6-[1-(2-hydroxyacetyl)piperidin-4-yl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165407608
4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-pyridin-4-ylpyrido[2,3-d]pyrimidin-7-one
CID 166129936
6-(1-cyclopropylimino-4-fluoro-1,4-thiazinan-4-ium-4-yl)-4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 165407737
6-(1-cyclopropylimino-4-fluoro-1,4-thiazinan-4-ium-4-yl)-4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one;ethane
CID 165407736
6-[(4S)-2-acetyl-5-methoxy-2-azabicyclo[2.2.1]heptan-5-yl]-4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 166129959
4-[[3-(difluoromethyl)-2-fluorophenyl]methyl-methylamino]-8-methyl-6-[4-(oxetan-3-yloxy)-1-oxothian-4-yl]pyrido[2,3-d]pyrimidin-7-one;ethane
CID 166129867
6-[(3aR,5R,7aS)-2,2-dioxo-1,3,3a,4,5,6,7,7a-octahydro-2-benzothiophen-5-yl]-4-[(2S)-2-[3-(difluoromethyl)-2-fluorophenyl]propyl]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 177084912
1-acetyl-3-[4-[[3-(difluoromethyl)-2-fluorophenyl]methylamino]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]pyrrolidine-3-carbonitrile
CID 165407456
4-[[3-(difluoromethyl)-2-fluorophenyl]methylamino]-6-(4-hydroxythian-4-yl)-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 156737432
acetylene;tert-butyl 3-[4-[[3-(difluoromethyl)-2-fluorophenyl]methylamino]-8-methyl-7-oxopyrido[2,3-d]pyrimidin-6-yl]-3-hydroxypyrrolidine-1-carboxylate
CID 165398539
4-[(2S)-2-[3-(difluoromethyl)-2-fluorophenyl]-2-methylbutyl]-8-methyl-6-(3-methyl-1,1-dioxothian-4-yl)pyrido[2,3-d]pyrimidin-7-one
CID 162763099

Frequently Asked Questions

What is the IUPAC name of CID 156737295?
The IUPAC name of CID 156737295 (CID 156737295) is not available.
What is the SMILES notation for CID 156737295?
The canonical SMILES for CID 156737295 is [B]C(=O)N1CCC(c2cc3c(N(C)Cc4cccc(C(F)F)c4F)ncnc3n(C)c2=O)CC1.
What is the InChIKey of CID 156737295?
The InChIKey is HLUVTROEJZTBMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BF3N5O2/c1-30(11-14-4-3-5-15(18(14)25)19(26)27)20-17-10-16(13-6-8-32(9-7-13)23(24)34)22(33)31(2)21(17)29-12-28-20/h3-5,10,12-13,19H,6-9,11H2,1-2H3.
What are the key properties of CID 156737295?
CID 156737295 has a molecular weight of 469.28 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156737295 is sourced from PubChem (CID 156737295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).