CID 174069163

C23H14B6F3N9O3 — CID 174069163

IUPAC—
SMILES[B]C([B])([B])N(C(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2C#N)ccn1)C([B])([B])[B]
InChIInChI=1S/C23H14B6F3N9O3/c1-39-9-10(21(30,31)32)5-13(18(39)42)36-19-38-17-16(40(19)2)12(7-33)14(8-35-17)44-11-3-4-34-15(6-11)37-20(43)41(22(24,25)26)23(27,28)29/h3-6,8-9H,1-2H3,(H,34,37,43)(H,35,36,38)
InChIKeyGRIWXZPWNURUPM-UHFFFAOYSA-N
MW586.29 g/mol
LogP0.56
Rot. Bonds7

About CID 174069163

CID 174069163 (PubChem CID 174069163) has the molecular formula C23H14B6F3N9O3 and a molecular weight of 586.29 g/mol.

Molecular Properties

Compound NameCID 174069163
PubChem CID174069163
Molecular FormulaC23H14B6F3N9O3
Molecular Weight586.29 g/mol
Exact Mass587.17
IUPAC Name—
SMILES[B]C([B])([B])N(C(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2C#N)ccn1)C([B])([B])[B]
InChIInChI=1S/C23H14B6F3N9O3/c1-39-9-10(21(30,31)32)5-13(18(39)42)36-19-38-17-16(40(19)2)12(7-33)14(8-35-17)44-11-3-4-34-15(6-11)37-20(43)41(22(24,25)26)23(27,28)29/h3-6,8-9H,1-2H3,(H,34,37,43)(H,35,36,38)
InChIKeyGRIWXZPWNURUPM-UHFFFAOYSA-N
XLogP0.56
TPSA142.99 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500586.29
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[7-cyano-2-[(1,5-dimethyl-2-oxo-3-pyridinyl)amino]-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 167639688
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-hydroxyacetamide
CID 168774439
2-(dimethylamino)ethyl N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]carbamate
CID 168774520
N-[4-[7-chloro-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]-2-(2-methoxyethylamino)acetamide
CID 168774302
6-[(3-methoxy-1H-pyrrolo[2,3-b]pyridin-5-yl)oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
CID 164560227
6-[[6-amino-5-(cyclopropanecarboximidoyl)-3-pyridinyl]oxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
CID 164560165
N-[4-[2-[[1-(2-hydroxyethyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]-7-methoxy-1-methylimidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774417
N-[4-[7-cyano-1-methyl-2-[4-(1-methylpyrrolidin-2-yl)-3-(trifluoromethyl)anilino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774351
6-[2-amino-1-(4-morpholin-4-yl-2-pyridinyl)ethenoxy]-1-methyl-2-[[1-methyl-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridine-7-carbonitrile
CID 164560397
N-[4-[7-chloro-1-methyl-2-[[1-(3-morpholin-4-ylpropyl)-2-oxo-5-(trifluoromethyl)-3-pyridinyl]amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 157042246
N-[4-[7-cyano-1-methyl-2-[(5-methylspiro[7,7a-dihydro-6H-pyrrolo[3,2-c]pyridine-4,1'-cyclopropane]-2-yl)amino]imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]acetamide
CID 168774314
N-[4-[7-cyano-1-methyl-2-(spiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,1'-cyclobutane]-2-ylamino)imidazo[4,5-b]pyridin-6-yl]oxy-2-pyridinyl]cyclopropanecarboxamide
CID 168774382

Frequently Asked Questions

What is the IUPAC name of CID 174069163?
The IUPAC name of CID 174069163 (CID 174069163) is not available.
What is the SMILES notation for CID 174069163?
The canonical SMILES for CID 174069163 is [B]C([B])([B])N(C(=O)Nc1cc(Oc2cnc3nc(Nc4cc(C(F)(F)F)cn(C)c4=O)n(C)c3c2C#N)ccn1)C([B])([B])[B].
What is the InChIKey of CID 174069163?
The InChIKey is GRIWXZPWNURUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14B6F3N9O3/c1-39-9-10(21(30,31)32)5-13(18(39)42)36-19-38-17-16(40(19)2)12(7-33)14(8-35-17)44-11-3-4-34-15(6-11)37-20(43)41(22(24,25)26)23(27,28)29/h3-6,8-9H,1-2H3,(H,34,37,43)(H,35,36,38).
What are the key properties of CID 174069163?
CID 174069163 has a molecular weight of 586.29 g/mol, XLogP of 0.56, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174069163 is sourced from PubChem (CID 174069163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).