CID 87764208

C18H14ClF2N5NaO2 — CID 87764208

IUPAC—
SMILESCc1cc(F)c(F)cc1C(=O)Nc1cc(C(=O)NCc2ccc(Cl)nc2)[nH]n1.[Na]
InChIInChI=1S/C18H14ClF2N5O2.Na/c1-9-4-12(20)13(21)5-11(9)17(27)24-16-6-14(25-26-16)18(28)23-8-10-2-3-15(19)22-7-10;/h2-7H,8H2,1H3,(H,23,28)(H2,24,25,26,27);
InChIKeySUZNDIDHKIQSPB-UHFFFAOYSA-N
MW428.78 g/mol
LogP2.85
Rot. Bonds5

About CID 87764208

CID 87764208 (PubChem CID 87764208) has the molecular formula C18H14ClF2N5NaO2 and a molecular weight of 428.78 g/mol.

Molecular Properties

Compound NameCID 87764208
PubChem CID87764208
Molecular FormulaC18H14ClF2N5NaO2
Molecular Weight428.78 g/mol
Exact Mass428.07
IUPAC Name—
SMILESCc1cc(F)c(F)cc1C(=O)Nc1cc(C(=O)NCc2ccc(Cl)nc2)[nH]n1.[Na]
InChIInChI=1S/C18H14ClF2N5O2.Na/c1-9-4-12(20)13(21)5-11(9)17(27)24-16-6-14(25-26-16)18(28)23-8-10-2-3-15(19)22-7-10;/h2-7H,8H2,1H3,(H,23,28)(H2,24,25,26,27);
InChIKeySUZNDIDHKIQSPB-UHFFFAOYSA-N
XLogP2.85
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.78
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810356
3-[(4,5-difluoro-2-methylbenzoyl)amino]-N-methyl-1H-pyrazole-5-carboxamide
CID 141159341
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(4,6-dimethyl-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810240
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[6-(4-hydroxypiperidin-1-yl)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 15947256
N-[[3-(1-aminoethylideneamino)phenyl]methyl]-3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 58810250
4-[[3-[(4,5-difluoro-2-methylbenzoyl)amino]-1H-pyrazole-5-carbonyl]-methylamino]benzoic acid
CID 58810419
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 58810350
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[[3-[1-(dimethylamino)ethylideneamino]phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 58810283
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(4-ethyl-2-methyl-1,3-oxazol-5-yl)methyl]-1H-pyrazole-5-carboxamide
CID 15947474
N-(1,3-benzothiazol-2-ylmethyl)-3-[(2-chloro-4,5-difluorobenzoyl)amino]-1H-pyrazole-5-carboxamide
CID 15948358
2-[(6-chloro-3-pyridinyl)methylamino]-5-fluoro-4-methylbenzamide
CID 71978030
3-[(2-chloro-4,5-difluorobenzoyl)amino]-N-[(2-methoxy-3-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 58810334

Frequently Asked Questions

What is the IUPAC name of CID 87764208?
The IUPAC name of CID 87764208 (CID 87764208) is not available.
What is the SMILES notation for CID 87764208?
The canonical SMILES for CID 87764208 is Cc1cc(F)c(F)cc1C(=O)Nc1cc(C(=O)NCc2ccc(Cl)nc2)[nH]n1.[Na].
What is the InChIKey of CID 87764208?
The InChIKey is SUZNDIDHKIQSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N5O2.Na/c1-9-4-12(20)13(21)5-11(9)17(27)24-16-6-14(25-26-16)18(28)23-8-10-2-3-15(19)22-7-10;/h2-7H,8H2,1H3,(H,23,28)(H2,24,25,26,27);.
What are the key properties of CID 87764208?
CID 87764208 has a molecular weight of 428.78 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87764208 is sourced from PubChem (CID 87764208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).