CID 174069625

C26H34BFN5OP — CID 174069625

IUPAC—
SMILES[B]C(C)(P)c1cn2c(NC3CCC(NC(=O)c4ccc(N(C)CC(C)F)cc4)CC3)cccc2n1
InChIInChI=1S/C26H34BFN5OP/c1-17(28)15-32(3)21-13-7-18(8-14-21)25(34)30-20-11-9-19(10-12-20)29-23-5-4-6-24-31-22(16-33(23)24)26(2,27)35/h4-8,13-14,16-17,19-20,29H,9-12,15,35H2,1-3H3,(H,30,34)
InChIKeySBTUJDPIRQCQJK-UHFFFAOYSA-N
MW493.38 g/mol
LogP4.50
Rot. Bonds8

About CID 174069625

CID 174069625 (PubChem CID 174069625) has the molecular formula C26H34BFN5OP and a molecular weight of 493.38 g/mol.

Molecular Properties

Compound NameCID 174069625
PubChem CID174069625
Molecular FormulaC26H34BFN5OP
Molecular Weight493.38 g/mol
Exact Mass493.26
IUPAC Name—
SMILES[B]C(C)(P)c1cn2c(NC3CCC(NC(=O)c4ccc(N(C)CC(C)F)cc4)CC3)cccc2n1
InChIInChI=1S/C26H34BFN5OP/c1-17(28)15-32(3)21-13-7-18(8-14-21)25(34)30-20-11-9-19(10-12-20)29-23-5-4-6-24-31-22(16-33(23)24)26(2,27)35/h4-8,13-14,16-17,19-20,29H,9-12,15,35H2,1-3H3,(H,30,34)
InChIKeySBTUJDPIRQCQJK-UHFFFAOYSA-N
XLogP4.50
TPSA61.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.38
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[2,2-difluoroethyl(methyl)amino]-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558091
4-(3,3-difluoropropylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009130
4-(difluoromethyl)-N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 166009014
2-(propan-2-ylamino)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558337
2-acetamido-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]pyridine-4-carboxamide
CID 164558229
2-(ethylamino)-N-[(1R,4S)-4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cycloheptyl]pyridine-4-carboxamide
CID 177065630
N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 164558237
2-chloro-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]benzamide
CID 164558189
N-[4-[[2-(difluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-3-(2-fluoropropylamino)-1-methylpyrazole-4-carboxamide
CID 177065631
3-methyl-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1,2-thiazole-4-carboxamide
CID 164558406
methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrrole-3-carboxylate
CID 168782772
5-(difluoromethyl)-N-[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]-1-(2-trimethylsilylethoxymethyl)pyrazole-4-carboxamide
CID 166009020

Frequently Asked Questions

What is the IUPAC name of CID 174069625?
The IUPAC name of CID 174069625 (CID 174069625) is not available.
What is the SMILES notation for CID 174069625?
The canonical SMILES for CID 174069625 is [B]C(C)(P)c1cn2c(NC3CCC(NC(=O)c4ccc(N(C)CC(C)F)cc4)CC3)cccc2n1.
What is the InChIKey of CID 174069625?
The InChIKey is SBTUJDPIRQCQJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34BFN5OP/c1-17(28)15-32(3)21-13-7-18(8-14-21)25(34)30-20-11-9-19(10-12-20)29-23-5-4-6-24-31-22(16-33(23)24)26(2,27)35/h4-8,13-14,16-17,19-20,29H,9-12,15,35H2,1-3H3,(H,30,34).
What are the key properties of CID 174069625?
CID 174069625 has a molecular weight of 493.38 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174069625 is sourced from PubChem (CID 174069625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).