cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

About cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide

cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (PubChem CID 163220690) has the molecular formula C21H24FN7OS and a molecular weight of 441.54 g/mol. Its IUPAC name is cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

Molecular Properties

Compound Name	cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
PubChem CID	163220690
Molecular Formula	C21H24FN7OS
Molecular Weight	441.54 g/mol
Exact Mass	441.17
IUPAC Name	cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide
SMILES	C1CC1.CSc1c(F)c(NC(C)C)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1
InChI	InChI=1S/C18H18FN7OS.C3H6/c1-9(2)23-17-15(19)18(28-3)14(10-4-22-25-16(10)17)11-6-26-7-12(21-8-27)24-13(26)5-20-11;1-2-3-1/h4-9,23H,1-3H3,(H,21,27)(H,22,25);1-3H2
InChIKey	IHASXGJFLJXXEY-UHFFFAOYSA-N
XLogP	4.69
TPSA	100.00 Å²
H-Bond Donors	3
H-Bond Acceptors	7
Rotatable Bonds	6
Heavy Atoms	31
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	441.54
LogP ≤ 5	4.69
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?

The IUPAC name of cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide (CID 163220690) is cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide.

What is the SMILES notation for cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?

The canonical SMILES for cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is C1CC1.CSc1c(F)c(NC(C)C)c2[nH]ncc2c1-c1cn2cc(NC=O)nc2cn1.

What is the InChIKey of cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?

The InChIKey is IHASXGJFLJXXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN7OS.C3H6/c1-9(2)23-17-15(19)18(28-3)14(10-4-22-25-16(10)17)11-6-26-7-12(21-8-27)24-13(26)5-20-11;1-2-3-1/h4-9,23H,1-3H3,(H,21,27)(H,22,25);1-3H2.

What are the key properties of cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide?

cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide has a molecular weight of 441.54 g/mol, XLogP of 4.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopropane;N-[6-[6-fluoro-5-methylsulfanyl-7-(propan-2-ylamino)-1H-indazol-4-yl]imidazo[1,2-a]pyrazin-2-yl]formamide is sourced from PubChem (CID 163220690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).