N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide

C14H19FN4O — CID 110469478

IUPACN-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESCN(C)CCCCNC(=O)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C14H19FN4O/c1-19(2)9-4-3-8-16-14(20)13-10-6-5-7-11(15)12(10)17-18-13/h5-7H,3-4,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyIYTCNPDICFVQGF-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.77
Rot. Bonds6

About N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide

N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide (PubChem CID 110469478) has the molecular formula C14H19FN4O and a molecular weight of 278.33 g/mol. Its IUPAC name is N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide
PubChem CID110469478
Molecular FormulaC14H19FN4O
Molecular Weight278.33 g/mol
Exact Mass278.15
IUPAC NameN-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide
SMILESCN(C)CCCCNC(=O)c1[nH]nc2c(F)cccc12
InChIInChI=1S/C14H19FN4O/c1-19(2)9-4-3-8-16-14(20)13-10-6-5-7-11(15)12(10)17-18-13/h5-7H,3-4,8-9H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyIYTCNPDICFVQGF-UHFFFAOYSA-N
XLogP1.77
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3S)-3,4-dihydroxybutyl]-7-fluoro-2H-indazole-3-carboxamide
CID 175835579
7-fluoro-N-piperidin-4-yl-2H-indazole-3-carboxamide
CID 110469442
N-[3-(dimethylamino)propyl]-3-fluoropyridine-2-carboxamide
CID 110474763
N-[3-(dimethylamino)propyl]-4-fluorobenzamide
CID 2249894
N-[5-(dimethylamino)pentyl]-6-(18F)fluoropyridazine-3-carboxamide
CID 154026060
3-(2,6-difluoroanilino)-N-[3-(dimethylamino)propyl]propanamide
CID 109017023
N-[2-(dimethylamino)ethyl]-2,6-difluorobenzamide
CID 17249262
9-amino-N-[2-(dimethylamino)ethyl]-5-fluoroacridine-4-carboxamide
CID 1818
N-[6-(dimethylamino)hexyl]-6-(18F)fluoropyridine-3-carboxamide
CID 154026015
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylmethyl]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167549858
6-[2,6-difluoro-3-[(5-fluoro-2-methoxy-3-pyridinyl)sulfonylamino]phenyl]-N-[3-(dimethylamino)propyl]-7-fluoro-2H-indazole-3-carboxamide
CID 167251218
N-[3-(dimethylamino)propyl]-2,3-difluoro-N-methylbenzamide
CID 63694509

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide?
The IUPAC name of N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide (CID 110469478) is N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide is CN(C)CCCCNC(=O)c1[nH]nc2c(F)cccc12.
What is the InChIKey of N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide?
The InChIKey is IYTCNPDICFVQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4O/c1-19(2)9-4-3-8-16-14(20)13-10-6-5-7-11(15)12(10)17-18-13/h5-7H,3-4,8-9H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide?
N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide has a molecular weight of 278.33 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)butyl]-7-fluoro-2H-indazole-3-carboxamide is sourced from PubChem (CID 110469478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).