N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide

C18H16FIN4O2 — CID 44603204

IUPACN-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
SMILESO=C(NOCC1CC1)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H16FIN4O2/c19-14-7-11(20)3-5-16(14)22-17-12(4-6-15-13(17)8-21-23-15)18(25)24-26-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)(H,24,25)
InChIKeyDDHMFHZVMCWHNC-UHFFFAOYSA-N
MW466.25 g/mol
LogP4.12
Rot. Bonds6

About N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide

N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide (PubChem CID 44603204) has the molecular formula C18H16FIN4O2 and a molecular weight of 466.25 g/mol. Its IUPAC name is N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
PubChem CID44603204
Molecular FormulaC18H16FIN4O2
Molecular Weight466.25 g/mol
Exact Mass466.03
IUPAC NameN-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide
SMILESO=C(NOCC1CC1)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H16FIN4O2/c19-14-7-11(20)3-5-16(14)22-17-12(4-6-15-13(17)8-21-23-15)18(25)24-26-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)(H,24,25)
InChIKeyDDHMFHZVMCWHNC-UHFFFAOYSA-N
XLogP4.12
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.25
LogP ≤ 54.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-1H-pyrazolo[3,4-b]pyridine-5-carboxamide
CID 44603081
2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-bromo-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide;2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-4-fluorobenzamide;N-(cyclopropylmethoxy)-3,4-difluoro-2-(2-fluoro-4-iodoanilino)benzamide
CID 173277062
N-(cyclopropylmethoxy)-7-fluoro-6-(2-fluoro-4-iodoanilino)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 141401959
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1,5-dimethyl-6-oxopyridazine-3-carboxamide
CID 16667254
5-chloro-2-(2-chloro-4-iodoanilino)-N-(cyclopropylmethoxy)-3,4-difluorobenzamide
CID 22271643
3-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)-7-oxo-6H-thieno[2,3-d]pyridazine-2-carboxamide
CID 59703868
4-fluoro-2-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)benzamide
CID 10224849
N-(2-ethenoxyethoxy)-4-(2-fluoro-4-iodoanilino)-1,2-benzothiazole-5-carboxamide
CID 86656247
N-(cyclopropylmethoxy)-4-fluoro-2-(4-iodo-2-methylanilino)-5-pyrazol-1-ylbenzamide
CID 139878974
N-(cyclopropylmethoxy)-2-[(3,5-dichloro-2-pyridinyl)amino]-3,4-difluorobenzamide
CID 24852482
N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide
CID 90876061
N-(cyclopropylmethoxy)-3,4-difluoro-2-[(5-fluoro-3-pyridinyl)amino]benzamide
CID 89278624

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
The IUPAC name of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide (CID 44603204) is N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide.
What is the SMILES notation for N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
The canonical SMILES for N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide is O=C(NOCC1CC1)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
The InChIKey is DDHMFHZVMCWHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FIN4O2/c19-14-7-11(20)3-5-16(14)22-17-12(4-6-15-13(17)8-21-23-15)18(25)24-26-9-10-1-2-10/h3-8,10,22H,1-2,9H2,(H,21,23)(H,24,25).
What are the key properties of N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide?
N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide has a molecular weight of 466.25 g/mol, XLogP of 4.12, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethoxy)-4-(2-fluoro-4-iodoanilino)-1H-indazole-5-carboxamide is sourced from PubChem (CID 44603204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).