N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide

C22H25FN8O2 — CID 167501133

IUPACN-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
SMILESCNC1CCN(c2ccc(C(=O)Nc3nc(OC)c4nc(C)cn4c3F)c3nn(C)cc23)C1
InChIInChI=1S/C22H25FN8O2/c1-12-9-31-18(23)19(27-22(33-4)20(31)25-12)26-21(32)14-5-6-16(15-11-29(3)28-17(14)15)30-8-7-13(10-30)24-2/h5-6,9,11,13,24H,7-8,10H2,1-4H3,(H,26,32)
InChIKeyRQJZXVNHNMWGNL-UHFFFAOYSA-N
MW452.49 g/mol
LogP2.12
Rot. Bonds5

About N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide

N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide (PubChem CID 167501133) has the molecular formula C22H25FN8O2 and a molecular weight of 452.49 g/mol. Its IUPAC name is N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide.

Molecular Properties

Compound NameN-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
PubChem CID167501133
Molecular FormulaC22H25FN8O2
Molecular Weight452.49 g/mol
Exact Mass452.21
IUPAC NameN-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide
SMILESCNC1CCN(c2ccc(C(=O)Nc3nc(OC)c4nc(C)cn4c3F)c3nn(C)cc23)C1
InChIInChI=1S/C22H25FN8O2/c1-12-9-31-18(23)19(27-22(33-4)20(31)25-12)26-21(32)14-5-6-16(15-11-29(3)28-17(14)15)30-8-7-13(10-30)24-2/h5-6,9,11,13,24H,7-8,10H2,1-4H3,(H,26,32)
InChIKeyRQJZXVNHNMWGNL-UHFFFAOYSA-N
XLogP2.12
TPSA101.61 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.49
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
The IUPAC name of N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide (CID 167501133) is N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide.
What is the SMILES notation for N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
The canonical SMILES for N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide is CNC1CCN(c2ccc(C(=O)Nc3nc(OC)c4nc(C)cn4c3F)c3nn(C)cc23)C1.
What is the InChIKey of N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
The InChIKey is RQJZXVNHNMWGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN8O2/c1-12-9-31-18(23)19(27-22(33-4)20(31)25-12)26-21(32)14-5-6-16(15-11-29(3)28-17(14)15)30-8-7-13(10-30)24-2/h5-6,9,11,13,24H,7-8,10H2,1-4H3,(H,26,32).
What are the key properties of N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide?
N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide has a molecular weight of 452.49 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-8-methoxy-2-methylimidazo[1,2-a]pyrazin-6-yl)-2-methyl-4-[3-(methylamino)pyrrolidin-1-yl]indazole-7-carboxamide is sourced from PubChem (CID 167501133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).